Receptor
PDB id Resolution Class Description Source Keywords
2A8U 1.69 Å EC: 2.4.1.37 CRYSTAL STRUCTURE OF HUMAN GALACTOSYLTRANSFERASE (GTB) COMPL BETA-METHYL LACTOSIDE HOMO SAPIENS GTB BLOOD GROUP ABO(H) GLYCOSYLTRANSFERASE RETAINING TR
Ref.: DIFFERENTIAL RECOGNITION OF THE TYPE I AND II H ANT ACCEPTORS BY THE HUMAN ABO(H) BLOOD GROUP A AND B GLYCOSYLTRANSFERASES. J.BIOL.CHEM. V. 281 3625 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:406;
Invalid;
none;
submit data
35.453 Cl [Cl-]
DR5 A:2;
Valid;
none;
submit data
356.323 C13 H24 O11 CO[C@...
MN A:450;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDP A:1;
Valid;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IOI 1.45 Å EC: 2.4.1.37 CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N- ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, GC OMPLEX WITH A NOVEL UDP-GAL DERIVED INHIBITOR (1GW) HOMO SAPIENS GTA ABO CISAB MUTANT AA(GLY)B ROSSMANN FOLD INHIBITOR CLOSED CONFORMATION BLOOD GROUP ANTIGEN GLYCOPROTEIN GLYCOSYLTRANSFERASE GOLGI APPARATUS MANGANESE MEMBRANE BINDING POLYMORPHISM SECRETED SIGNAL-ANCHOR TRANSFERASETRANSMEMBRANE
Ref.: STRUCTURAL AND MECHANISTIC BASIS FOR A NEW MODE OF GLYCOSYLTRANSFERASE INHIBITION. NAT.CHEM.BIOL. V. 6 321 2010
Members (97)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1R7X - AIG FUC n/a n/a
2 1WT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 2RJ6 - BHE C20 H38 O10 CCCCCCCCO[....
4 1ZI4 - DR2 C20 H35 N O15 C[C@H]1[C@....
5 1LZJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 3SX8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 1R7Y - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1R7T - DLG FUC n/a n/a
9 2RJ0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1ZI5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 5C3D - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
12 3SX3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1R82 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 4FRO - GAL C6 H12 O6 C([C@@H]1[....
15 4FRM - GAL C6 H12 O6 C([C@@H]1[....
16 5C4B - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
17 1ZJ0 - LAT C12 H22 O11 C([C@@H]1[....
18 5C38 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
19 5C47 - DA8 C20 H38 O9 CCCCCCCCO[....
20 5C48 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
21 4FRL - GAL C6 H12 O6 C([C@@H]1[....
22 3SXB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
23 1ZJO - DR4 C16 H30 O8 COC(=O)CCC....
24 2RJ5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
25 2O1H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
26 1R7V - AIG FUC n/a n/a
27 5C1H - DA8 C20 H38 O9 CCCCCCCCO[....
28 4FQW - GAL C6 H12 O6 C([C@@H]1[....
29 3IOJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
30 1ZJ1 - NLC C14 H25 N O11 CC(=O)N[C@....
31 5C3B - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
32 3V0L Ki = 3 uM 2GW C21 H28 N2 O17 P2 c1ccc(cc1)....
33 2A8W - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
34 2RJ7 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
35 3SXD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
36 2A8U - DR5 C13 H24 O11 CO[C@H]1[C....
37 5C4F - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
38 4FRA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
39 5C1G - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
40 3V0P - BHE C20 H38 O10 CCCCCCCCO[....
41 5C4C - DA8 C20 H38 O9 CCCCCCCCO[....
42 4FRD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
43 1ZIZ - GAL C6 H12 O6 C([C@@H]1[....
44 3I0F - U C9 H13 N2 O9 P O=C1N(C2OC....
45 4FRE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
46 3SXA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
47 1ZJP - DR4 C16 H30 O8 COC(=O)CCC....
48 5C49 - 4YA C18 H34 O10 CCCCCCO[C@....
49 5C3A - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
50 5C4E - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
51 3ZGG - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
52 3I0I - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
53 1WT2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
54 4GBP - GAL C6 H12 O6 C([C@@H]1[....
55 3V0Q - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
56 3I0G - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
57 1ZI3 - NLC C14 H25 N O11 CC(=O)N[C@....
58 1ZHJ - GAL C6 H12 O6 C([C@@H]1[....
59 4FRQ - GAL C6 H12 O6 C([C@@H]1[....
60 3I0L - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
61 5C4D - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
62 3ZGF - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
63 5C8R - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
64 3IOI Ki = 0.53 uM 1GW C20 H26 N2 O18 P2 S c1cc(sc1C=....
65 3SXG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
66 3I0J - BHG FUC n/a n/a
67 3SX5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
68 3SXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
69 3V0M - 5GW C15 H18 N2 O12 P2 c1ccc(cc1)....
70 4FRP - GAL C6 H12 O6 C([C@@H]1[....
71 4FRB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
72 3I0D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 5TJN - BGB C26 H48 O15 CCCCCCCCO[....
74 1R80 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
75 2RJ9 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
76 3I0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 2RJ1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
78 4FRH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 2RJ4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
80 3I0E - BHG FUC n/a n/a
81 5C1L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
82 2RJ8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
83 1R7U - DLG FUC n/a n/a
84 2RIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
85 5TJO - BGB C26 H48 O15 CCCCCCCCO[....
86 1ZJ3 - DR2 C20 H35 N O15 C[C@H]1[C@....
87 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 5TJL - BGA C28 H51 N O15 CCCCCCCCO[....
89 1LZI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
90 2RIY - BHE C20 H38 O10 CCCCCCCCO[....
91 3SXE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
92 3SX7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
93 5C36 - DA8 C20 H38 O9 CCCCCCCCO[....
94 5TJK - BGA C28 H51 N O15 CCCCCCCCO[....
95 1ZJ2 - DR3 C20 H35 N O15 CC1C(C(C(C....
96 1WT3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
97 1R81 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
70% Homology Family (97)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1R7X - AIG FUC n/a n/a
2 1WT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 2RJ6 - BHE C20 H38 O10 CCCCCCCCO[....
4 1ZI4 - DR2 C20 H35 N O15 C[C@H]1[C@....
5 1LZJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 3SX8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 1R7Y - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1R7T - DLG FUC n/a n/a
9 2RJ0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1ZI5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 5C3D - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
12 3SX3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1R82 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 4FRO - GAL C6 H12 O6 C([C@@H]1[....
15 4FRM - GAL C6 H12 O6 C([C@@H]1[....
16 5C4B - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
17 1ZJ0 - LAT C12 H22 O11 C([C@@H]1[....
18 5C38 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
19 5C47 - DA8 C20 H38 O9 CCCCCCCCO[....
20 5C48 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
21 4FRL - GAL C6 H12 O6 C([C@@H]1[....
22 3SXB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
23 1ZJO - DR4 C16 H30 O8 COC(=O)CCC....
24 2RJ5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
25 2O1H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
26 1R7V - AIG FUC n/a n/a
27 5C1H - DA8 C20 H38 O9 CCCCCCCCO[....
28 4FQW - GAL C6 H12 O6 C([C@@H]1[....
29 3IOJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
30 1ZJ1 - NLC C14 H25 N O11 CC(=O)N[C@....
31 5C3B - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
32 3V0L Ki = 3 uM 2GW C21 H28 N2 O17 P2 c1ccc(cc1)....
33 2A8W - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
34 2RJ7 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
35 3SXD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
36 2A8U - DR5 C13 H24 O11 CO[C@H]1[C....
37 5C4F - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
38 4FRA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
39 5C1G - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
40 3V0P - BHE C20 H38 O10 CCCCCCCCO[....
41 5C4C - DA8 C20 H38 O9 CCCCCCCCO[....
42 4FRD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
43 1ZIZ - GAL C6 H12 O6 C([C@@H]1[....
44 3I0F - U C9 H13 N2 O9 P O=C1N(C2OC....
45 4FRE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
46 3SXA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
47 1ZJP - DR4 C16 H30 O8 COC(=O)CCC....
48 5C49 - 4YA C18 H34 O10 CCCCCCO[C@....
49 5C3A - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
50 5C4E - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
51 3ZGG - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
52 3I0I - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
53 1WT2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
54 4GBP - GAL C6 H12 O6 C([C@@H]1[....
55 3V0Q - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
56 3I0G - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
57 1ZI3 - NLC C14 H25 N O11 CC(=O)N[C@....
58 1ZHJ - GAL C6 H12 O6 C([C@@H]1[....
59 4FRQ - GAL C6 H12 O6 C([C@@H]1[....
60 3I0L - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
61 5C4D - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
62 3ZGF - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
63 5C8R - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
64 3IOI Ki = 0.53 uM 1GW C20 H26 N2 O18 P2 S c1cc(sc1C=....
65 3SXG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
66 3I0J - BHG FUC n/a n/a
67 3SX5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
68 3SXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
69 3V0M - 5GW C15 H18 N2 O12 P2 c1ccc(cc1)....
70 4FRP - GAL C6 H12 O6 C([C@@H]1[....
71 4FRB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
72 3I0D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 5TJN - BGB C26 H48 O15 CCCCCCCCO[....
74 1R80 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
75 2RJ9 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
76 3I0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 2RJ1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
78 4FRH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 2RJ4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
80 3I0E - BHG FUC n/a n/a
81 5C1L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
82 2RJ8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
83 1R7U - DLG FUC n/a n/a
84 2RIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
85 5TJO - BGB C26 H48 O15 CCCCCCCCO[....
86 1ZJ3 - DR2 C20 H35 N O15 C[C@H]1[C@....
87 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 5TJL - BGA C28 H51 N O15 CCCCCCCCO[....
89 1LZI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
90 2RIY - BHE C20 H38 O10 CCCCCCCCO[....
91 3SXE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
92 3SX7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
93 5C36 - DA8 C20 H38 O9 CCCCCCCCO[....
94 5TJK - BGA C28 H51 N O15 CCCCCCCCO[....
95 1ZJ2 - DR3 C20 H35 N O15 CC1C(C(C(C....
96 1WT3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
97 1R81 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
50% Homology Family (116)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2JCK - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1GWV Kd = 2.68 mM LAT C12 H22 O11 C([C@@H]1[....
3 1O7Q Kd = 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 2VS4 - NLC C14 H25 N O11 CC(=O)N[C@....
5 1GX4 Kd = 0.58 mM GAL NAG n/a n/a
6 2VFZ Ki = 245 uM UPF C15 H23 F N2 O16 P2 C1=CN(C(=O....
7 1GX0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1O7O Kd = 2.69 mM LAT C12 H22 O11 C([C@@H]1[....
9 1VZU - LAT C12 H22 O11 C([C@@H]1[....
10 2VS5 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
11 2WGZ - GAL NPO n/a n/a
12 2JCJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1VZT Kd ~ 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
14 2VS3 - NLC C14 H25 N O11 CC(=O)N[C@....
15 1VZX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
16 1G93 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
17 1K4V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
18 1G8O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
19 1GWW Kd = 0.258 mM UDP GLC n/a n/a
20 1R7X - AIG FUC n/a n/a
21 1WT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
22 2RJ6 - BHE C20 H38 O10 CCCCCCCCO[....
23 1ZI4 - DR2 C20 H35 N O15 C[C@H]1[C@....
24 1LZJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
25 3SX8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
26 1R7Y - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
27 1R7T - DLG FUC n/a n/a
28 2RJ0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
29 1ZI5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
30 5C3D - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
31 3SX3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
32 1R82 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
33 4FRO - GAL C6 H12 O6 C([C@@H]1[....
34 4FRM - GAL C6 H12 O6 C([C@@H]1[....
35 5C4B - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
36 1ZJ0 - LAT C12 H22 O11 C([C@@H]1[....
37 5C38 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
38 5C47 - DA8 C20 H38 O9 CCCCCCCCO[....
39 5C48 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
40 4FRL - GAL C6 H12 O6 C([C@@H]1[....
41 3SXB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
42 1ZJO - DR4 C16 H30 O8 COC(=O)CCC....
43 2RJ5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
44 2O1H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
45 1R7V - AIG FUC n/a n/a
46 5C1H - DA8 C20 H38 O9 CCCCCCCCO[....
47 4FQW - GAL C6 H12 O6 C([C@@H]1[....
48 3IOJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
49 1ZJ1 - NLC C14 H25 N O11 CC(=O)N[C@....
50 5C3B - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
51 3V0L Ki = 3 uM 2GW C21 H28 N2 O17 P2 c1ccc(cc1)....
52 2A8W - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
53 2RJ7 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
54 3SXD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
55 2A8U - DR5 C13 H24 O11 CO[C@H]1[C....
56 5C4F - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
57 4FRA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
58 5C1G - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
59 3V0P - BHE C20 H38 O10 CCCCCCCCO[....
60 5C4C - DA8 C20 H38 O9 CCCCCCCCO[....
61 4FRD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
62 1ZIZ - GAL C6 H12 O6 C([C@@H]1[....
63 3I0F - U C9 H13 N2 O9 P O=C1N(C2OC....
64 4FRE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
65 3SXA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
66 1ZJP - DR4 C16 H30 O8 COC(=O)CCC....
67 5C49 - 4YA C18 H34 O10 CCCCCCO[C@....
68 5C3A - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
69 5C4E - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70 3ZGG - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
71 3I0I - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
72 1WT2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 4GBP - GAL C6 H12 O6 C([C@@H]1[....
74 3V0Q - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
75 3I0G - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
76 1ZI3 - NLC C14 H25 N O11 CC(=O)N[C@....
77 1ZHJ - GAL C6 H12 O6 C([C@@H]1[....
78 4FRQ - GAL C6 H12 O6 C([C@@H]1[....
79 3I0L - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
80 5C4D - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
81 3ZGF - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
82 5C8R - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
83 3IOI Ki = 0.53 uM 1GW C20 H26 N2 O18 P2 S c1cc(sc1C=....
84 3SXG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
85 3I0J - BHG FUC n/a n/a
86 3SX5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
87 3SXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 3V0M - 5GW C15 H18 N2 O12 P2 c1ccc(cc1)....
89 4FRP - GAL C6 H12 O6 C([C@@H]1[....
90 4FRB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
91 3I0D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
92 5TJN - BGB C26 H48 O15 CCCCCCCCO[....
93 1R80 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
94 2RJ9 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
95 3I0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
96 2RJ1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
97 4FRH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
98 2RJ4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
99 3I0E - BHG FUC n/a n/a
100 5C1L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
101 2RJ8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
102 1R7U - DLG FUC n/a n/a
103 2RIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
104 5TJO - BGB C26 H48 O15 CCCCCCCCO[....
105 1ZJ3 - DR2 C20 H35 N O15 C[C@H]1[C@....
106 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
107 5TJL - BGA C28 H51 N O15 CCCCCCCCO[....
108 1LZI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
109 2RIY - BHE C20 H38 O10 CCCCCCCCO[....
110 3SXE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
111 3SX7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
112 5C36 - DA8 C20 H38 O9 CCCCCCCCO[....
113 5TJK - BGA C28 H51 N O15 CCCCCCCCO[....
114 1ZJ2 - DR3 C20 H35 N O15 CC1C(C(C(C....
115 1WT3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
116 1R81 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DR5; Similar ligands found: 235
No: Ligand ECFP6 Tc MDL keys Tc
1 DR5 1 1
2 MMA MAN 1 1
3 LAT GLA 0.723404 0.942857
4 GLA EGA 0.673077 0.944444
5 BGC BGC SGC MGL 0.666667 0.921053
6 MGL SGC GLC GLC 0.666667 0.921053
7 VAM 0.660377 0.921053
8 MLR 0.653846 0.942857
9 GAL GAL GAL 0.653846 0.942857
10 BGC BGC BGC GLC 0.653846 0.942857
11 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.653846 0.942857
12 GLC GLC BGC GLC GLC GLC GLC 0.653846 0.942857
13 CT3 0.653846 0.942857
14 CTT 0.653846 0.942857
15 GLC BGC GLC 0.653846 0.942857
16 BGC GLC GLC GLC 0.653846 0.942857
17 GLC BGC BGC BGC BGC 0.653846 0.942857
18 CE8 0.653846 0.942857
19 MT7 0.653846 0.942857
20 GLC GLC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
21 MAN BMA BMA 0.653846 0.942857
22 BMA BMA BMA BMA BMA BMA 0.653846 0.942857
23 GLC BGC BGC 0.653846 0.942857
24 CEY 0.653846 0.942857
25 MTT 0.653846 0.942857
26 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
27 CE5 0.653846 0.942857
28 GLC GAL GAL 0.653846 0.942857
29 BMA MAN BMA 0.653846 0.942857
30 BMA BMA BMA BMA BMA 0.653846 0.942857
31 CEX 0.653846 0.942857
32 MAN MAN BMA BMA BMA BMA 0.653846 0.942857
33 B4G 0.653846 0.942857
34 BGC GLC GLC GLC GLC 0.653846 0.942857
35 BGC GLC GLC 0.653846 0.942857
36 BGC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
37 GLC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
38 CE6 0.653846 0.942857
39 MAN BMA BMA BMA BMA 0.653846 0.942857
40 GLA GAL GLC 0.653846 0.942857
41 BGC BGC BGC BGC BGC BGC 0.653846 0.942857
42 GLC GLC GLC GLC GLC 0.653846 0.942857
43 DXI 0.653846 0.942857
44 GLC BGC BGC BGC BGC BGC 0.653846 0.942857
45 BMA BMA BMA 0.653846 0.942857
46 CTR 0.653846 0.942857
47 GLC GLC BGC 0.653846 0.942857
48 GLA MBG 0.653061 1
49 CBI 0.64 0.942857
50 BGC GLC 0.64 0.942857
51 BGC BMA 0.64 0.942857
52 CBK 0.64 0.942857
53 GAL GLC 0.64 0.942857
54 LBT 0.64 0.942857
55 GLA GLA 0.64 0.942857
56 MAL 0.64 0.942857
57 GLC GAL 0.64 0.942857
58 BMA BMA 0.64 0.942857
59 GLA GAL 0.64 0.942857
60 LAT 0.64 0.942857
61 MAB 0.64 0.942857
62 B2G 0.64 0.942857
63 N9S 0.64 0.942857
64 BGC GAL 0.64 0.942857
65 GAL BGC 0.64 0.942857
66 BMA GAL 0.64 0.942857
67 GLC BGC 0.64 0.942857
68 MAL MAL 0.64 0.916667
69 MAL EDO 0.62963 0.891892
70 GAL MBG 0.615385 1
71 MDM 0.615385 1
72 M13 0.615385 1
73 GLA GAL BGC 5VQ 0.614035 0.894737
74 MMA 0.613636 0.914286
75 GYP 0.613636 0.914286
76 AMG 0.613636 0.914286
77 MBG 0.613636 0.914286
78 BMA BMA BMA BMA BMA BMA MAN 0.607143 0.916667
79 BGC BGC GLC 0.607143 0.942857
80 MAN BMA BMA BMA BMA BMA 0.607143 0.916667
81 GTM BGC BGC 0.603175 0.921053
82 MBG A2G 0.6 0.744681
83 A2G MBG 0.6 0.744681
84 GLA GAL GLC NBU 0.583333 0.85
85 GLC SGC SGC MGL 0.567164 0.921053
86 UMQ 0.564516 0.790698
87 LMT 0.564516 0.790698
88 LMU 0.564516 0.790698
89 DMU 0.564516 0.790698
90 GLC GLC XYP 0.564516 0.942857
91 BGC BGC BGC BGC BGC BGC BGC BGC 0.557377 0.942857
92 G2F BGC BGC BGC BGC BGC 0.557377 0.825
93 BGC BGC BGC BGC 0.557377 0.942857
94 TRE 0.555556 0.942857
95 MVP 0.551724 0.702128
96 GLA GAL BGC 0.542373 0.942857
97 GLA GAL GAL 0.542373 0.942857
98 OXZ BGC BGC 0.539683 0.66
99 G2I 0.539683 0.733333
100 G3I 0.539683 0.733333
101 GLC GLC GLC GLC GLC GLC 0.539683 0.942857
102 MGL SGC BGC BGC 0.538462 0.660377
103 U63 0.535714 0.846154
104 SOR GLC GLC 0.53125 0.916667
105 BGC BGC 0.528302 0.942857
106 2M4 0.528302 0.942857
107 MAN MAN 0.528302 0.942857
108 GLC GLC XYS 0.523077 0.916667
109 NPJ 0.522388 0.6
110 MAN GLC 0.518519 0.942857
111 M3M 0.518519 0.942857
112 LB2 0.518519 0.942857
113 BMA MAN 0.517857 0.864865
114 BMA BMA GLA BMA BMA 0.515152 0.942857
115 SOR GLC GLC GLC 0.515152 0.916667
116 6UZ 0.515152 0.804878
117 GAL FUC 0.508772 0.942857
118 GAL NDG 0.508197 0.73913
119 8VZ 0.508197 0.68
120 GAL MGC 0.508197 0.744681
121 NDG GAL 0.508197 0.73913
122 NLC 0.508197 0.73913
123 MAN MMA MAN 0.507937 1
124 RCB 0.507246 0.6
125 GLC GLC GLC BGC 0.5 0.942857
126 DOM 0.491228 0.891892
127 GAL BGC NAG GAL 0.486111 0.73913
128 GLO GLC GLC 0.485714 0.891892
129 10M 0.485294 0.73913
130 BMA BMA MAN 0.482759 0.916667
131 4MU BGC BGC 0.48 0.772727
132 CM5 0.478873 0.846154
133 GLC BGC BGC BGC 0.474576 0.942857
134 BGC BGC BGC BGC BGC 0.474576 0.942857
135 5QP 0.474576 0.837838
136 BGC BGC BGC ASO BGC BGC ASO 0.474576 0.942857
137 GLC BGC BGC BGC BGC BGC BGC 0.474576 0.942857
138 BGC BGC BGC 0.474576 0.942857
139 BGC BGC BGC GLC BGC BGC 0.474576 0.942857
140 4MU BGC BGC BGC BGC 0.473684 0.772727
141 MAN MMA 0.473684 1
142 RZM 0.473684 0.659574
143 GLO GLC GLC GLC 0.472222 0.891892
144 BGC BGC G2F SHG 0.472222 0.804878
145 MA4 0.472222 0.846154
146 MAN NAG GAL 0.471429 0.73913
147 GAL NAG MAN 0.471429 0.73913
148 LSE 0.470588 0.729167
149 BMA MAN MAN 0.467742 0.942857
150 MAN MNM 0.466667 0.717391
151 GLF B8D 0.466667 0.825
152 MAN MAN BMA 0.466667 0.942857
153 NAG BMA 0.461538 0.66
154 FUC BGC GAL 0.461538 0.971429
155 ABD 0.460526 0.755556
156 FMO 0.459016 0.825
157 WZ3 0.457143 0.972222
158 NGA GAL BGC 0.457143 0.73913
159 GAL NGA GLA BGC GAL 0.454545 0.73913
160 ABL 0.451613 0.673469
161 MAG FUC GAL 0.450704 0.729167
162 FRU GAL 0.45 0.8
163 NOY BGC 0.45 0.717391
164 BMA FRU 0.45 0.8
165 GLC GAL NAG GAL 0.447368 0.73913
166 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.447368 0.891892
167 BGC BGC BGC XYS BGC BGC 0.447368 0.891892
168 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.447368 0.891892
169 GLA GAL NAG 0.442857 0.73913
170 MAN H1M MAN 0.442857 0.921053
171 GLA MMA ABE 0.442857 0.921053
172 NAG GAL GAL 0.442857 0.73913
173 MAN BMA NAG 0.442857 0.73913
174 BGC OXZ 0.442623 0.64
175 BMA IFM 0.442623 0.711111
176 ISX 0.442623 0.727273
177 9MR 0.442623 0.711111
178 IFM BGC 0.442623 0.711111
179 IFM BMA 0.442623 0.711111
180 GTM BGC BGC GDA 0.44 0.733333
181 GLC GLC BGC XYS BGC XYS 0.44 0.891892
182 LAT NAG GAL 0.44 0.73913
183 GAL NAG GAL BGC 0.44 0.73913
184 BGC GAL NAG GAL 0.44 0.73913
185 BGC GLA GAL FUC 0.438356 0.971429
186 A2G GAL 0.4375 0.73913
187 GAL NGA 0.4375 0.73913
188 GAL A2G 0.4375 0.73913
189 NOJ GLC 0.435484 0.695652
190 GLC DMJ 0.435484 0.695652
191 NAG GAL GAL NAG GAL 0.434211 0.693878
192 CGC 0.428571 0.888889
193 BGC BGC BGC XYS GAL 0.428571 0.891892
194 NAG BMA MAN MAN MAN MAN MAN 0.428571 0.921053
195 GAL NAG GAL 0.426667 0.708333
196 NGT GAL 0.426471 0.666667
197 FUC LAT 0.426471 0.971429
198 GAL NGT 0.426471 0.666667
199 LAT FUC 0.426471 0.971429
200 BGC GAL FUC 0.426471 0.971429
201 FUC GAL GLC 0.426471 0.971429
202 GLC GAL FUC 0.426471 0.971429
203 MAN DGO 0.42623 0.864865
204 GAL BGC BGC XYS 0.424658 0.891892
205 GAL GAL FUC 0.424242 0.971429
206 FUC GLA GLA 0.424242 0.971429
207 GLA GAL FUC 0.424242 0.971429
208 GAL GAL SO4 0.424242 0.673469
209 GLA GLA FUC 0.424242 0.971429
210 FUC GAL GLA 0.424242 0.971429
211 T6P 0.423729 0.733333
212 NGA GLA GAL BGC 0.423077 0.73913
213 NAG NDG BMA 0.421053 0.641509
214 NAG NAG BMA 0.421053 0.641509
215 MAN 7D1 0.416667 0.842105
216 GLC GLC G6D ACI GLC GLC GLC 0.416667 0.790698
217 QV4 0.416667 0.73913
218 GAL NAG GAL NAG GAL NAG 0.415584 0.68
219 NAG GAL GAL NAG 0.415584 0.693878
220 BGC BGC XYS BGC 0.413333 0.891892
221 MAN MAN MAN GLC 0.411765 0.942857
222 AXR BXY BXY BXX 0.410959 0.842105
223 XZZ BGC BGC 0.409639 0.673469
224 LAT SPH DAO 0.406977 0.618182
225 LAT SPH OLA 0.406977 0.618182
226 GLC 7LQ 0.40625 0.837838
227 GAL NOK 0.405797 0.6
228 NOK GAL 0.405797 0.6
229 TUR 0.403226 0.8
230 BTU 0.403226 0.8
231 GLC ACI G6D BGC 0.402439 0.790698
232 GLC G6D ADH GLC 0.402439 0.790698
233 GLC ACI GLD GLC 0.402439 0.790698
234 GLC G6D ACI GLC 0.402439 0.790698
235 GAL GAL GLC EMB MEC 0.402299 0.62963
Ligand no: 2; Ligand: UDP; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U5P 0.78125 0.984615
5 UPU 0.72973 0.940298
6 2KH 0.722222 0.970149
7 44P 0.720588 0.955882
8 URM 0.717949 0.927536
9 GUD 0.717949 0.941176
10 GDU 0.717949 0.941176
11 UFM 0.717949 0.941176
12 UPG 0.717949 0.941176
13 660 0.717949 0.927536
14 UDP UDP 0.714286 0.939394
15 UDH 0.705128 0.864865
16 UPP 0.705128 0.941176
17 UPF 0.691358 0.888889
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UDX 0.670732 0.941176
21 UAD 0.670732 0.941176
22 3UC 0.658824 0.888889
23 USQ 0.654762 0.820513
24 UGB 0.654762 0.955224
25 UGA 0.654762 0.955224
26 G3N 0.647059 0.914286
27 UDM 0.636364 0.914286
28 URI 0.625 0.863636
29 U 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 UDP GAL 0.611765 0.913043
33 Y6W 0.607143 0.888889
34 CDP 0.605263 0.942029
35 UD7 0.591398 0.927536
36 HP7 0.591398 0.941176
37 MJZ 0.585106 0.914286
38 IUG 0.583333 0.810127
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 UD4 0.578947 0.914286
42 CJB 0.573529 0.820895
43 UDZ 0.571429 0.853333
44 DUD 0.571429 0.913043
45 UP5 0.571429 0.853333
46 U U 0.563218 0.955224
47 EPZ 0.56 0.914286
48 5GW 0.559524 0.942029
49 EPU 0.554455 0.901408
50 EEB 0.554455 0.901408
51 UA3 0.547945 0.939394
52 U3P 0.547945 0.939394
53 CH 0.546667 0.913043
54 4TC 0.544554 0.831169
55 CTP 0.54321 0.942029
56 CSV 0.531915 0.851351
57 CSQ 0.531915 0.851351
58 DUT 0.52439 0.913043
59 4GW 0.516484 0.915493
60 UMA 0.513761 0.914286
61 U4S 0.513158 0.753425
62 U2P 0.506667 0.954545
63 U2S 0.5 0.767123
64 U3S 0.5 0.753425
65 PUP 0.48913 0.913043
66 U22 0.486957 0.790123
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 DKX 0.486486 0.746479
70 U1S 0.482759 0.75
71 A U 0.481132 0.805195
72 2QR 0.478632 0.822785
73 5FU 0.474359 0.914286
74 8OD 0.47191 0.851351
75 C5G 0.468085 0.888889
76 7XL 0.465909 0.888889
77 U U U U 0.461538 0.940298
78 UMF 0.461538 0.857143
79 G8D 0.460674 0.855263
80 UTP U U U 0.456522 0.895522
81 2TU 0.452055 0.774648
82 4RA 0.451613 0.855263
83 C2G 0.450549 0.901408
84 DU 0.45 0.898551
85 CAR 0.45 0.927536
86 C 0.45 0.927536
87 C5P 0.45 0.927536
88 UMP 0.45 0.898551
89 UAG 0.448 0.864865
90 CDC 0.446809 0.777778
91 UD0 0.444444 0.844156
92 5BU 0.444444 0.914286
93 N3E 0.440476 0.733333
94 UC5 0.440476 0.9
95 UUA 0.438356 0.772727
96 DUP 0.431818 0.887324
97 2GW 0.431373 0.901408
98 M7G 0.430108 0.780488
99 CNU 0.428571 0.927536
100 CDM 0.427083 0.842105
101 H6Y 0.425532 0.851351
102 16B 0.421687 0.888889
103 S5P 0.419753 0.915493
104 8GT 0.419355 0.855263
105 CXY 0.418367 0.888889
106 UPA 0.418182 0.842105
107 CDP MG 0.413793 0.849315
108 U2G 0.410714 0.822785
109 U A A U 0.409836 0.842105
110 UML 0.408759 0.810127
111 UP6 0.407407 0.871429
112 M7M 0.40625 0.771084
113 PMP UD1 0.404762 0.794872
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IOI; Ligand: 1GW; Similar sites found: 442
This union binding pocket(no: 1) in the query (biounit: 3ioi.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.002939 0.48597 None
2 1UO5 PIH 0.01106 0.46328 None
3 3S9K CIT 0.01255 0.46212 None
4 1UW1 ADP 0.002109 0.45467 None
5 3RF4 FUN 0.002559 0.44499 None
6 3I6B KDO 0.005433 0.43059 None
7 2QLX RM4 0.02093 0.41951 None
8 3SJ0 DXC 0.02544 0.41534 None
9 2ALG DAO 0.01718 0.41318 None
10 2E1A MSE 0.0212 0.40023 None
11 1IG3 VIB 0.00004783 0.43148 0.760456
12 2VQ5 LDP 0.009792 0.44927 0.995025
13 2VQ5 HBA 0.005712 0.44709 0.995025
14 1Z42 HBA 0.01891 0.45509 1.34228
15 4W6Z ETF 0.01944 0.43353 1.34228
16 1Z44 NPO 0.03661 0.43313 1.34228
17 1Z42 FMN 0.00272 0.42856 1.34228
18 1Z48 FMN 0.002327 0.4224 1.34228
19 4HZO COA 0.009935 0.41903 1.34228
20 1Z41 FMN 0.003916 0.41379 1.34228
21 1Z44 FMN 0.009521 0.40274 1.34228
22 2P69 PLP 0.03232 0.41202 1.63399
23 3E5P PPI 0.02308 0.43939 1.67785
24 1A59 CIT 0.0137 0.42853 1.67785
25 4JRB PGT 0.00676 0.41264 1.67785
26 1QS8 IVA VAL VAL STA ALA STA 0.003868 0.40642 1.67785
27 4OJ8 2TQ 0.001342 0.41174 1.70648
28 4OJ8 AKG 0.003514 0.40437 1.70648
29 1T3D CYS 0.00946 0.4364 1.7301
30 1CBF SAH 0.001917 0.4256 1.75439
31 4K7O EKZ 0.002291 0.4664 1.78571
32 4H2D FMN 0.02305 0.40062 1.81818
33 1O68 KIV 0.02661 0.40007 1.81818
34 3E81 SLB 0.005168 0.43698 1.82927
35 2QDT I38 0.002496 0.42124 1.85874
36 3P0K FAD 0.002099 0.40523 1.8797
37 1J5P NAD 0.0004801 0.40908 1.97628
38 2XUM OGA 0.003032 0.45373 2.01342
39 2HW1 FRU 0.003373 0.4454 2.01342
40 4B9E FAH 0.01371 0.42852 2.01342
41 4NAO AKG 0.02905 0.4125 2.01342
42 2QV7 ADP 0.005179 0.40916 2.01342
43 4ME6 ADP 0.02312 0.40727 2.01342
44 1DXY NAD 0.0007955 0.40565 2.01342
45 2R5T ANP 0.002364 0.4035 2.01342
46 2ZJ5 ADP 0.02898 0.40276 2.01342
47 1GU3 BGC BGC BGC BGC BGC 0.02551 0.40088 2.01342
48 3ZRR PXG 0.004612 0.40021 2.01342
49 3T1A 5MA 0.005805 0.40004 2.01342
50 1C3V PDC 0.01395 0.41732 2.04082
51 3UEC ALA ARG TPO LYS 0.01146 0.43232 2.05479
52 2DWU DGL 0.007864 0.41871 2.17391
53 2Q37 3AL 0.01266 0.41925 2.20994
54 2O66 FLC 0.004216 0.441 2.22222
55 2R00 OEG 0.00008782 0.53528 2.34899
56 1I0Z OXM 0.00126 0.49611 2.34899
57 2VDJ HSE 0.004247 0.46049 2.34899
58 4KCT PYR 0.002854 0.43751 2.34899
59 3U1T MLI 0.009361 0.43662 2.34899
60 3QV9 QV7 0.005846 0.43454 2.34899
61 1GPJ CIT 0.007766 0.43451 2.34899
62 1NML CIT 0.00726 0.42504 2.34899
63 1T10 F6P 0.0104 0.42314 2.34899
64 1PL6 NAD 0.0006359 0.42262 2.34899
65 4KCT FDP 0.004188 0.42101 2.34899
66 1VBH PEP 0.01165 0.4209 2.34899
67 4EPL JAI 0.003041 0.41797 2.34899
68 1HYE NAP 0.0007408 0.41674 2.34899
69 5A2J ALA PRO ASP THR ARG PRO 0.03838 0.41476 2.34899
70 3V1V GST 0.002998 0.41422 2.34899
71 3LST SAH 0.00907 0.40749 2.34899
72 2QJN KDG 0.007239 0.40742 2.34899
73 1VJT NAD 0.002976 0.40692 2.34899
74 2VQO TFG 0.03281 0.40685 2.34899
75 2CE7 ADP 0.008063 0.40558 2.34899
76 3DG6 MUC 0.008322 0.40504 2.34899
77 3H22 B53 0.005387 0.42103 2.3569
78 2QGI UDP 0.001866 0.45709 2.41935
79 4COQ SAN 0.02657 0.40925 2.42915
80 2JAR UMP 0.002082 0.41615 2.5
81 2Y6P CTP 0.004927 0.42264 2.5641
82 1EJE FMN 0.005106 0.40206 2.60417
83 1BGQ RDC 0.0005144 0.41143 2.66667
84 4E28 0MZ 0.0004372 0.48569 2.68456
85 4O8A 2OP 0.002707 0.47866 2.68456
86 4E28 9MZ 0.0009363 0.47769 2.68456
87 1SOW OXL 0.00382 0.4708 2.68456
88 3LM9 ADP 0.0009415 0.44709 2.68456
89 1YOE RIB 0.003447 0.43401 2.68456
90 3NFZ 3NF 0.002108 0.43302 2.68456
91 4HA6 PXM 0.006501 0.43244 2.68456
92 4PTZ FMN 0.001345 0.42713 2.68456
93 3CL5 SIO 0.01756 0.42325 2.68456
94 4L7I SAM 0.002296 0.41852 2.68456
95 1NW5 SAM 0.003324 0.40522 2.68456
96 4QVH COA 0.0008836 0.4027 2.68456
97 1QZZ SAM 0.009874 0.40212 2.68456
98 3M31 FAD 0.002394 0.40006 2.68456
99 2CSN CKI 0.0004447 0.41678 2.6936
100 3I7S PYR 0.04204 0.40984 2.73973
101 2Y7P SAL 0.005117 0.43174 2.75229
102 1Q3P GLU ALA GLN THR ARG LEU 0.007095 0.40394 2.75229
103 3WCS MAN NAG 0.0001028 0.50637 2.75591
104 3WCS MAN NAG GAL 0.001331 0.44618 2.75591
105 1LYX PGA 0.01112 0.40009 2.82258
106 1NF8 BOG 0.0245 0.41615 2.89855
107 1YFZ IMP 0.004872 0.43814 2.92683
108 3VPQ GSH 0.008653 0.42678 2.94118
109 3I51 45C 0.003272 0.42533 2.96296
110 4JCA CIT 0.03402 0.42735 2.99401
111 2XRH NIO 0.002601 0.46372 3
112 1II5 GLU 0.03274 0.40032 3.00429
113 4WBD ADP 0.003057 0.46031 3.02013
114 3I0O ADP 0.0009647 0.45196 3.02013
115 2BO4 FLC 0.007549 0.44118 3.02013
116 1RYI GOA 0.0345 0.43907 3.02013
117 2R14 FMN 0.0003417 0.41686 3.02013
118 3I0O SMI 0.01437 0.41673 3.02013
119 4KOA NDP 0.00421 0.40874 3.02013
120 2R14 TXD 0.0002628 0.40722 3.02013
121 2OKK ABU 0.04937 0.40624 3.02013
122 3K5X P8D 0.01296 0.40519 3.02013
123 3DER ALA LYS 0.002719 0.4048 3.02013
124 3PLN U5P 0.02626 0.40032 3.02013
125 2QCX PF1 0.01649 0.414 3.04183
126 1XIU REA 0.002551 0.41682 3.04348
127 2Q1A 2KT 0.02073 0.41437 3.07167
128 1VE3 SAM 0.003202 0.40939 3.0837
129 3O03 GCO 0.01084 0.44693 3.09278
130 2JFV FLC 0.01747 0.41789 3.09278
131 1EYQ NAR 0.008413 0.41745 3.15315
132 1A5V Y3 0.001967 0.45604 3.16456
133 4IRP UDP 0.009424 0.44082 3.18725
134 4DN8 BMA 0.00254 0.45734 3.20513
135 2PNZ 5GP 0.01276 0.4097 3.21285
136 2BGM NAJ 0.0005433 0.42016 3.23741
137 3PNA CMP 0.003096 0.436 3.24675
138 2XI7 XI7 0.0009225 0.52526 3.26087
139 1SS4 GSH 0.003345 0.49988 3.26797
140 3PMD 11A 0.007051 0.41618 3.26797
141 1PR9 NAP 0.0002582 0.40586 3.27869
142 1UCN ADP 0.009262 0.40321 3.28947
143 1U3I GSH 0.0265 0.40455 3.31754
144 3MAG 3MA 0.004782 0.47437 3.3557
145 1ZGA HMK 0.000637 0.45391 3.3557
146 3L24 GOA 0.01113 0.44634 3.3557
147 2IZ1 ATR 0.005493 0.44159 3.3557
148 3SQG COM 0.02498 0.4348 3.3557
149 4MIX UD1 0.006906 0.42563 3.3557
150 3ZPG 5GP 0.0324 0.42173 3.3557
151 1E4E PHY 0.00414 0.41287 3.3557
152 3ULK NDP 0.001248 0.4128 3.3557
153 2HFK E4H 0.01591 0.40999 3.3557
154 1RYD GLC 0.02599 0.40971 3.3557
155 1V6A TRE 0.02271 0.40763 3.3557
156 1R6W 164 0.005699 0.40758 3.3557
157 1YHM AHD 0.0271 0.4041 3.3557
158 4CCN OGA 0.03543 0.40329 3.3557
159 3MCT 3MC 0.01748 0.40818 3.367
160 2OHV NHL 0.004677 0.42835 3.40909
161 3PXP MYR 0.004811 0.40659 3.42466
162 1XX4 BAM 0.0004229 0.52101 3.44828
163 2BZ1 TAU 0.003809 0.48991 3.57143
164 1C1L GAL BGC 0.01138 0.43248 3.64964
165 3HZL 6PC 0.001412 0.49352 3.69128
166 2Z9V PXM 0.002034 0.44938 3.69128
167 1GJW GLC 0.01063 0.43392 3.69128
168 2XDQ MGX 0.02049 0.43231 3.69128
169 3BRE C2E 0.009027 0.43143 3.69128
170 1F1V DHY 0.004656 0.42844 3.69128
171 1EP2 FAD 0.0004574 0.4236 3.69128
172 1FBL HTA 0.006108 0.41876 3.69128
173 1C7S CBS 0.004844 0.41847 3.69128
174 1OIK C26 0.002996 0.41822 3.69128
175 1WDA BAG 0.008698 0.41683 3.69128
176 3L6R MLI 0.02651 0.41446 3.69128
177 4LHM AZZ 0.02007 0.41009 3.69128
178 1C7R PA5 0.01271 0.40554 3.69128
179 1GJW MAL 0.01272 0.40553 3.69128
180 1OIK AKG 0.03227 0.40523 3.69128
181 4B16 NAG 0.004394 0.47639 3.7594
182 3DX5 DHB 0.008703 0.41238 3.84615
183 1B1C FMN 0.0136 0.40508 3.8674
184 2C2A ADP 0.001068 0.43083 3.87597
185 3CU0 UDP 0.01727 0.40033 3.91459
186 3LTW HLZ 0.01147 0.42652 3.92857
187 2DTJ THR 0.002585 0.43424 3.93258
188 1TRD PGH 0.01212 0.4024 4
189 4M5P 23W 0.00255 0.47169 4.02685
190 4M5P MLA 0.01089 0.45473 4.02685
191 1EYE PMM 0.0007293 0.45155 4.02685
192 2HGS GSH 0.001504 0.43413 4.02685
193 3AYS CT3 0.003621 0.42818 4.02685
194 1P9B HDA 0.01103 0.42198 4.02685
195 3TXO 07U 0.003943 0.41775 4.02685
196 1P9B GDP 0.00255 0.41682 4.02685
197 1PX8 XYP 0.01467 0.41633 4.02685
198 4DYO SD4 0.009648 0.41491 4.02685
199 3BK2 U5P 0.006099 0.41444 4.02685
200 3NKS ACJ 0.004036 0.41329 4.02685
201 3QO8 SSA 0.004917 0.41002 4.02685
202 1H0C AOA 0.04111 0.40504 4.02685
203 1W7J ADP BEF 0.005628 0.40406 4.02685
204 1B8U NAD 0.003149 0.40261 4.02685
205 2I4O ATP 0.03377 0.40249 4.02685
206 3EYK EYK 0.02941 0.40715 4.06977
207 3EJ0 11X 0.01197 0.41786 4.08163
208 1B55 4IP 0.0005551 0.45106 4.14201
209 4M4K XYP XYP 0.002477 0.43163 4.18118
210 1T0I FMN 0.003513 0.40793 4.18848
211 1H8G CHT 0.006361 0.4771 4.21053
212 1MZV AMP 0.006606 0.41735 4.25532
213 1ZJ6 G3D 0.002436 0.43049 4.27807
214 3BHO B4P 0.0204 0.43968 4.32692
215 1O9U ADZ 0.001296 0.49547 4.36242
216 3R6K FUC GAL GLA 0.007057 0.44261 4.36242
217 4USS GSH 0.004607 0.43375 4.36242
218 1TDF NAP 0.0008989 0.42229 4.36242
219 4LIT AKG 0.01197 0.42035 4.36242
220 4M2K PLP 0.01079 0.41283 4.36242
221 3K8L CEX 0.03799 0.40264 4.36242
222 2PUL ACP 0.008188 0.40157 4.36242
223 1JA9 NDP 0.0006668 0.42501 4.37956
224 3GM5 CIT 0.02997 0.40676 4.40252
225 1M1B SPV 0.006627 0.43206 4.40678
226 2JBH 5GP 0.008199 0.41793 4.44444
227 4KGM ATP 0.01362 0.40035 4.4898
228 1ECM TSA 0.001086 0.4554 4.58716
229 1N9L FMN 0.004481 0.40411 4.58716
230 3VPD BUA 0.007524 0.47354 4.62633
231 3VPD ANP 0.001875 0.41036 4.62633
232 3NNF AKG 0.02671 0.40914 4.65116
233 3TFC PEP 0.01081 0.41742 4.67532
234 3DCM SAM 0.003993 0.40241 4.6875
235 1LL2 UPG 0.000003814 0.55472 4.69799
236 3TKA CTN 0.0008767 0.54474 4.69799
237 2Q3M MLA 0.009486 0.45 4.69799
238 1WTC ACP 0.006986 0.44282 4.69799
239 1F8I GLV 0.02757 0.4038 4.69799
240 4J7H TLO 0.003462 0.4012 4.69799
241 4N7U 2JA 0.002946 0.47673 4.73684
242 1KYQ NAD 0.003103 0.40988 4.74453
243 2YBQ SAH 0.001456 0.41786 4.79452
244 3V91 UPG 0.00002074 0.51745 4.811
245 3QDV A2G 0.001161 0.49797 4.8951
246 3QDW A2G 0.002003 0.48553 4.8951
247 3QDT A2G GAL 0.002967 0.46837 4.8951
248 3QDY A2G GAL 0.003757 0.46318 4.8951
249 3QDY CBS 0.006476 0.44443 4.8951
250 3QDW NDG 0.01109 0.43303 4.8951
251 3QDV NDG 0.01211 0.43116 4.8951
252 4G28 0W8 0.01343 0.40874 4.90196
253 1NXJ GLV 0.01087 0.4127 4.91803
254 2WCV FUC 0.002291 0.44158 5
255 3R51 MMA 0.02873 0.42452 5
256 1KC7 PPR 0.001694 0.47279 5.03356
257 1H16 DTL 0.008206 0.45332 5.03356
258 4OYA 1VE 0.001641 0.4263 5.03356
259 1R89 CTP 0.003253 0.41686 5.03356
260 2BH9 NAP 0.004589 0.41116 5.03356
261 3CEV ARG 0.01638 0.40505 5.03356
262 4O1M NAD 0.0005671 0.4008 5.03356
263 4N7C AEF 0.006918 0.44303 5.11364
264 1V2X SAM 0.004379 0.401 5.15464
265 2YD6 FLC 0.001045 0.55098 5.18868
266 3GEG NAD 0.0008853 0.40114 5.26316
267 3U2U UDP 0.0001019 0.45395 5.32319
268 2YFT DQR 0.001204 0.4333 5.36913
269 2YIV NBN 0.01258 0.43035 5.36913
270 2YIV YIV 0.03909 0.41147 5.36913
271 2OZE AGS 0.00382 0.40662 5.36913
272 4Q0A 4OA 0.004128 0.4054 5.36913
273 1UF5 CDT 0.01283 0.40537 5.36913
274 1Y7P RIP 0.01952 0.4269 5.38117
275 2ZE3 AKG 0.00575 0.43487 5.45455
276 3F81 STT 0.0144 0.44043 5.46448
277 1B74 DGN 0.004125 0.46113 5.51181
278 1T8U A3P 0.003361 0.40505 5.51471
279 1Y13 BIO 0.01072 0.40863 5.52486
280 2VKL MLT 0.0103 0.45606 5.55556
281 2OFD NGA 0.005451 0.44175 5.6338
282 2OFE NAG 0.01139 0.42667 5.6338
283 3SVL FMN 0.001461 0.42579 5.69948
284 2DVZ GLU 0.003515 0.42871 5.7047
285 1YBH P22 0.008304 0.41323 5.7047
286 2D2I NAP 0.0009212 0.41021 5.7047
287 3RKR NAP 0.01005 0.40979 5.7047
288 1IGW PYR 0.03161 0.40811 5.7047
289 3V1U NAD 0.001184 0.40349 5.7047
290 3W54 RNB 0.00941 0.40294 5.7047
291 3V1U HXC 0.01517 0.40234 5.7047
292 4LN7 1ZQ 0.003037 0.41401 5.74163
293 2PYU IMP 0.01465 0.41635 5.93607
294 2V5E SCR 0.03287 0.42818 5.94059
295 2EB5 OXL 0.00206 0.46161 5.99251
296 3S2Y FMN 0.002179 0.41543 6.03015
297 1TH8 ADP 0.01499 0.40256 6.03448
298 3UER BTU 0.008356 0.40892 6.04027
299 3UER TUR 0.008356 0.40892 6.04027
300 1R37 NAD 0.0004269 0.40121 6.05187
301 4NPT 017 0.01283 0.40537 6.06061
302 4JWX 1N4 0.01163 0.41601 6.07143
303 2FH5 GTP 0.003267 0.40549 6.07477
304 5FIT AP2 0.004002 0.42181 6.12245
305 3D2Y AH0 ALA FGA LYS 0.002579 0.41278 6.13027
306 2P8O BVA 0.00655 0.40162 6.18557
307 1QD0 RR6 0.005499 0.41625 6.25
308 1AX2 NDG GAL 0.004742 0.4332 6.27615
309 1Y2W NAG 0.003609 0.45017 6.33803
310 1F5F DHT 0.001417 0.42629 6.34146
311 3IB8 AMP 0.0008871 0.4431 6.37584
312 1PEA ACM 0.009583 0.4426 6.37584
313 3WUC GLC GAL 0.03648 0.40268 6.56934
314 3A2Y TS5 0.001098 0.43039 6.59898
315 3SHR CMP 0.003717 0.42771 6.71141
316 3JQ3 ADP 0.01489 0.40268 6.71141
317 3HB5 E2B 0.00007438 0.44515 6.72783
318 1VQ2 DDN 0.002317 0.41837 6.73575
319 1YOA FAD 0.0004127 0.42892 6.91824
320 4WNB 4BN 0.004747 0.40681 6.95187
321 3TN7 NJP 0.000145 0.41445 7.00389
322 2ZWS PLM 0.0004253 0.54456 7.04698
323 1H2K OGA 0.002492 0.45772 7.04698
324 3P3N AKG 0.003322 0.45186 7.04698
325 2F2U M77 0.001328 0.44622 7.04698
326 2Q09 DI6 0.002648 0.4389 7.04698
327 2C5S AMP 0.00718 0.4204 7.04698
328 4M51 BEZ 0.04774 0.40699 7.04698
329 3O2K DST 0.02321 0.40271 7.04698
330 4RNX FMN 0.005113 0.40031 7.04698
331 2BOI MFU 0.002818 0.44314 7.07965
332 3K56 IS3 0.009 0.40371 7.14286
333 1WHT BZS 0.03302 0.40475 7.18954
334 1HFA PIO 0.000002566 0.68059 7.26644
335 1H8P PC 0.002148 0.48394 7.33945
336 1DL7 NCH 0.02943 0.43866 7.33945
337 3ZF8 GDP 0.0004628 0.46516 7.38255
338 3IHB TRS 0.004041 0.44031 7.38255
339 4LO6 SIA GAL 0.009252 0.44005 7.38255
340 2NCD ADP 0.01084 0.42232 7.38255
341 2GWD GLU 0.007257 0.4202 7.38255
342 3IHB GLU 0.04088 0.40516 7.38255
343 3SCH TB6 0.002814 0.45524 7.57576
344 1ZZ7 S0H 0.01956 0.40601 7.57576
345 2F59 INI 0.004387 0.40444 7.64331
346 1P72 THM 0.004245 0.43532 7.71812
347 1UBY DMA 0.003993 0.4096 7.71812
348 1RHC F42 ACN 0.0003646 0.40628 7.71812
349 2ZJF BSU 0.01268 0.40559 7.71812
350 4IXW IXW 0.01075 0.4129 7.87402
351 4FGC PQ0 0.005982 0.43409 7.87879
352 1SC3 MLI 0.01163 0.43834 7.95455
353 1ULE GLA GAL NAG 0.00559 0.45446 8
354 4OXX FMN 0.01319 0.40569 8.02469
355 3UBW 6SP 0.00106 0.51979 8.04598
356 3UDG TMP 0.008139 0.45351 8.05369
357 1KTC NGA 0.008945 0.42105 8.05369
358 3ZS7 ATP 0.00121 0.41326 8.05369
359 1V7R CIT 0.001742 0.49842 8.06452
360 4EXO PYR 0.007318 0.44854 8.21918
361 3W8S GSH 0.005093 0.43727 8.25243
362 1PFK ADP 0.002448 0.42156 8.38926
363 2NVK NAP 0.01564 0.41032 8.38926
364 1OGD RIP 0.009701 0.41949 8.39695
365 4AF5 CIT 0.01615 0.41951 8.42105
366 1BTN I3P 0.0009625 0.5327 8.49057
367 1Y8O ADP 0.007864 0.41421 8.59375
368 9LDB OXM 0.001756 0.49823 8.72483
369 9LDT OXM 0.002118 0.49377 8.72483
370 3IB9 BTN 0.03408 0.41174 8.72483
371 4JP3 CIT 0.006162 0.41426 8.78661
372 1I1Q TRP 0.01427 0.40763 8.85417
373 3CF6 SP1 0.002525 0.42105 8.98204
374 3UIE ANP 0.003741 0.42759 9
375 2VAR KDF 0.001162 0.44342 9.0604
376 2VAR KDG 0.001628 0.43753 9.0604
377 1CKN GTP 0.004992 0.42714 9.0604
378 1CKM GTP 0.006086 0.42347 9.0604
379 4FFG 0U8 0.02841 0.41421 9.0604
380 2VAR AMP 0.01424 0.40349 9.0604
381 1NP0 NGT 0.006743 0.4374 9.12863
382 3I8T LBT 0.01435 0.41198 9.14634
383 3BY8 MLT 0.02257 0.4179 9.15493
384 4F4S EFO 0.002822 0.44312 9.21053
385 2JGS BTN 0.02119 0.40669 9.23077
386 1Y75 NAG 0.01134 0.41191 9.32203
387 1HQL GLA MBG 0.003074 0.46019 9.33852
388 1MXI SAH 0.002317 0.41447 9.375
389 2HV8 GTP 0.001261 0.40585 9.375
390 1WRA PC 0.01058 0.43975 9.39597
391 1O5Q PYR 0.03089 0.41224 9.39597
392 3CBG FER 0.003208 0.47479 9.48276
393 3CBG 4FE 0.004831 0.47413 9.48276
394 3CBG SAH 0.007218 0.40005 9.48276
395 3JQM GTP 0.002665 0.43878 9.55414
396 1G8S MET 0.004431 0.44598 9.56522
397 2IYG FMN 0.007505 0.41081 9.67742
398 1ZED PNP 0.00009055 0.53463 9.73154
399 1SQ5 PAU 0.004578 0.43387 9.73154
400 1SQ5 ADP 0.004166 0.42111 9.73154
401 1YRX FMN 0.008813 0.40406 9.91736
402 2OWZ CIT 0.00394 0.44838 10.0671
403 2Q8M AMP 0.002729 0.4285 10.0671
404 2HXT EHM 0.005714 0.41144 10.0671
405 1H7F C5P 0.01882 0.40165 10.2041
406 1NU4 MLA 0.03736 0.42508 10.3093
407 3F8C HT1 0.01988 0.41028 10.3175
408 4F8L GAL 0.02288 0.44502 10.3448
409 3PMA SCR 0.008479 0.42207 10.3448
410 1Y1A GSH 0.0006104 0.54696 10.3825
411 5RHN 8BR 0.005073 0.4095 10.4348
412 1GVF PGH 0.007889 0.42345 10.4895
413 1TUV VK3 0.03545 0.41965 10.5263
414 3ZGE ASP 0.01011 0.44142 10.7383
415 2WCI GSH 0.03139 0.40117 11.1111
416 3KYF 5GP 5GP 0.00261 0.43407 11.2554
417 4RJK PYR 0.01667 0.4304 11.4094
418 1R5A GTS 0.01964 0.40166 11.4679
419 1Q11 TYE 0.00175 0.45225 11.745
420 3P7I P7I 0.02495 0.40131 11.745
421 1ZUW DGL 0.0132 0.40907 12.1324
422 4KWI NAP 0.00001773 0.40721 12.1673
423 4KWI 1TJ 0.00001932 0.40349 12.1673
424 2FR6 URI 0.001186 0.42498 12.3288
425 1GA8 UPF 0.00006462 0.4833 12.7517
426 1GA8 DEL 0.00009521 0.45503 12.7517
427 4BCS BTN 0.003449 0.41589 12.8
428 2HVW DCP 0.009515 0.40276 13.587
429 3KJQ B94 0.01119 0.4038 13.6842
430 1T0S BML 0.03299 0.41526 13.9535
431 1JAC AMG 0.002006 0.49507 14.2857
432 2X2T GAL NGA 0.0141 0.44091 14.3791
433 1NME 159 0.003856 0.47058 15.2174
434 2PR5 FMN 0.0009202 0.42896 16.6667
435 2VL8 CTS 0.009686 0.41183 17.1141
436 2VL8 UDP 0.009898 0.40825 17.1141
437 4A6F SEP 0.0004743 0.52938 18.3333
438 4P9Z NMI PTR 02K ASN NH2 0.01394 0.41253 18.8034
439 3KPE TM3 0.008016 0.43386 19.6078
440 1PTR PRB 0.01794 0.4228 24
441 4K30 NLG 0.01257 0.41452 25
442 2YLD CMO 0.01702 0.41842 26.7717
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