Receptor
PDB id Resolution Class Description Source Keywords
1O7Q 1.3 Å EC: 2.4.1.87 ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS BOS TAURUS TRANSFERASE ALPHA-1 3-GALACTOSYLTRANSFERASE-UDP COMPLEX GLYCOSYLTRANSFERASE GLYCOPROTEIN TRANSMEMBRANE NUCLEOTIDE-BINDING PROTEIN XENOTRANSPLANTATION
Ref.: ROLES OF INDIVIDUAL ENZYME-SUBSTRATE INTERACTIONS B 1,3-GALACTOSYLTRANSFERASE IN CATALYSIS AND SPECIFIC BIOCHEMISTRY V. 42 13512 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL NAG A:1372;
B:1373;
Valid;
Valid;
none;
none;
submit data
383.35 n/a O=C(N...
GOL A:1369;
A:1370;
B:1372;
B:1378;
B:1379;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:1371;
B:1369;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
UDP A:1374;
A:1375;
B:1376;
B:1377;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.032 mM
404.161 C9 H14 N2 O12 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O7Q 1.3 Å EC: 2.4.1.87 ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS BOS TAURUS TRANSFERASE ALPHA-1 3-GALACTOSYLTRANSFERASE-UDP COMPLEX GLYCOSYLTRANSFERASE GLYCOPROTEIN TRANSMEMBRANE NUCLEOTIDE-BINDING PROTEIN XENOTRANSPLANTATION
Ref.: ROLES OF INDIVIDUAL ENZYME-SUBSTRATE INTERACTIONS B 1,3-GALACTOSYLTRANSFERASE IN CATALYSIS AND SPECIFIC BIOCHEMISTRY V. 42 13512 2003
Members (22)
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 5NRE - LAT C12 H22 O11 C([C@@H]1[....
7 5NRB - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
8 2VFZ Ki = 245 uM UPF C15 H23 F N2 O16 P2 C1=CN(C(=O....
9 1GX0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1O7O Kd = 2.69 mM LAT C12 H22 O11 C([C@@H]1[....
11 5NRD - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1VZU - LAT C12 H22 O11 C([C@@H]1[....
13 2VS5 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 2WGZ - GAL NPO n/a n/a
15 2JCJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
16 1VZT Kd ~ 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
17 2VS3 - NLC C14 H25 N O11 CC(=O)N[C@....
18 1VZX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
19 1G93 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
20 1K4V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 1G8O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
22 1GWW Kd = 0.258 mM UDP GLC n/a n/a
70% Homology Family (22)
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 5NRE - LAT C12 H22 O11 C([C@@H]1[....
7 5NRB - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
8 2VFZ Ki = 245 uM UPF C15 H23 F N2 O16 P2 C1=CN(C(=O....
9 1GX0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1O7O Kd = 2.69 mM LAT C12 H22 O11 C([C@@H]1[....
11 5NRD - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1VZU - LAT C12 H22 O11 C([C@@H]1[....
13 2VS5 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 2WGZ - GAL NPO n/a n/a
15 2JCJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
16 1VZT Kd ~ 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
17 2VS3 - NLC C14 H25 N O11 CC(=O)N[C@....
18 1VZX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
19 1G93 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
20 1K4V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 1G8O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
22 1GWW Kd = 0.258 mM UDP GLC n/a n/a
50% Homology Family (119)
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 5NRE - LAT C12 H22 O11 C([C@@H]1[....
7 5NRB - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
8 2VFZ Ki = 245 uM UPF C15 H23 F N2 O16 P2 C1=CN(C(=O....
9 1GX0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1O7O Kd = 2.69 mM LAT C12 H22 O11 C([C@@H]1[....
11 5NRD - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1VZU - LAT C12 H22 O11 C([C@@H]1[....
13 2VS5 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 2WGZ - GAL NPO n/a n/a
15 2JCJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
16 1VZT Kd ~ 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
17 2VS3 - NLC C14 H25 N O11 CC(=O)N[C@....
18 1VZX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
19 1G93 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
20 1K4V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 1G8O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
22 1GWW Kd = 0.258 mM UDP GLC n/a n/a
23 1R7X - AIG FUC n/a n/a
24 1WT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
25 2RJ6 - BHE C20 H38 O10 CCCCCCCCO[....
26 1ZI4 - DR2 C20 H35 N O15 C[C@H]1[C@....
27 1LZJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
28 3SX8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
29 1R7Y - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
30 1R7T - DLG FUC n/a n/a
31 2RJ0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
32 1ZI5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
33 5C3D - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
34 3SX3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
35 1R82 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
36 4FRO - GAL C6 H12 O6 C([C@@H]1[....
37 4FRM - GAL C6 H12 O6 C([C@@H]1[....
38 5C4B - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
39 1ZJ0 - LAT C12 H22 O11 C([C@@H]1[....
40 5C38 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
41 5C47 - DA8 C20 H38 O9 CCCCCCCCO[....
42 5C48 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
43 4FRL - GAL C6 H12 O6 C([C@@H]1[....
44 3SXB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
45 1ZJO - DR4 C16 H30 O8 COC(=O)CCC....
46 2RJ5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
47 2O1H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
48 1R7V - AIG FUC n/a n/a
49 5C1H - DA8 C20 H38 O9 CCCCCCCCO[....
50 4FQW - GAL C6 H12 O6 C([C@@H]1[....
51 3IOJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
52 1ZJ1 - NLC C14 H25 N O11 CC(=O)N[C@....
53 5C3B - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
54 3V0L Ki = 3 uM 2GW C21 H28 N2 O17 P2 c1ccc(cc1)....
55 2A8W - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
56 2RJ7 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
57 3SXD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
58 2A8U - DR5 C13 H24 O11 CO[C@H]1[C....
59 5C4F - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
60 4FRA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
61 5C1G - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
62 3V0P - BHE C20 H38 O10 CCCCCCCCO[....
63 5C4C - DA8 C20 H38 O9 CCCCCCCCO[....
64 4FRD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
65 1ZIZ - GAL C6 H12 O6 C([C@@H]1[....
66 3I0F - U C9 H13 N2 O9 P C1=CN(C(=O....
67 4FRE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
68 3SXA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
69 1ZJP - DR4 C16 H30 O8 COC(=O)CCC....
70 5C49 - 4YA C18 H34 O10 CCCCCCO[C@....
71 5C3A - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
72 5C4E - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 3ZGG - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
74 3I0I - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
75 1WT2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
76 4GBP - GAL C6 H12 O6 C([C@@H]1[....
77 3V0Q - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
78 3I0G - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 1ZI3 - NLC C14 H25 N O11 CC(=O)N[C@....
80 1ZHJ - GAL C6 H12 O6 C([C@@H]1[....
81 4FRQ - GAL C6 H12 O6 C([C@@H]1[....
82 3I0L - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
83 5C4D - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
84 3ZGF - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
85 5C8R - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
86 3IOI Ki = 0.53 uM 1GW C20 H26 N2 O18 P2 S c1cc(sc1C=....
87 3SXG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 3I0J - BHG FUC n/a n/a
89 3SX5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
90 3SXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
91 3V0M - 5GW C15 H18 N2 O12 P2 c1ccc(cc1)....
92 4FRP - GAL C6 H12 O6 C([C@@H]1[....
93 4FRB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
94 3I0D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
95 5TJN - BGB C26 H48 O15 CCCCCCCCO[....
96 1R80 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
97 2RJ9 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
98 3I0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
99 2RJ1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
100 4FRH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
101 2RJ4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
102 3I0E - BHG FUC n/a n/a
103 5C1L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
104 2RJ8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
105 1R7U - DLG FUC n/a n/a
106 2RIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
107 5TJO - BGB C26 H48 O15 CCCCCCCCO[....
108 1ZJ3 - DR2 C20 H35 N O15 C[C@H]1[C@....
109 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
110 5TJL - BGA C28 H51 N O15 CCCCCCCCO[....
111 1LZI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
112 2RIY - BHE C20 H38 O10 CCCCCCCCO[....
113 3SXE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
114 3SX7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
115 5C36 - DA8 C20 H38 O9 CCCCCCCCO[....
116 5TJK - BGA C28 H51 N O15 CCCCCCCCO[....
117 1ZJ2 - DR3 C20 H35 N O15 CC1C(C(C(C....
118 1WT3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
119 1R81 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL NAG; Similar ligands found: 168
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL 1 1
2 GAL NAG 1 1
3 GAL NGA A2G 0.881356 0.9375
4 NAG MAN BMA 0.822581 1
5 NAG NGA 0.693548 0.9375
6 NAG MBG 0.693548 0.957447
7 NAG A2G 0.693548 0.9375
8 NAG GAL BGC 0.657143 1
9 NAG GAL GAL NAG GAL 0.652778 0.9375
10 NGA GAL 0.646154 0.93617
11 NAG GDL 0.640625 0.9375
12 NDG NAG 0.640625 0.9375
13 CBS 0.640625 0.9375
14 CBS CBS 0.640625 0.9375
15 NGA GLA GAL BGC 0.635135 1
16 NAG GAL NAG 0.633803 0.9375
17 NAG MAN MAN MAN NAG 0.631579 0.9375
18 NGA GAL BGC 0.623188 1
19 FUC BGC GAL NAG 0.615385 0.978261
20 A2G MBG 0.606061 0.957447
21 MBG A2G 0.606061 0.957447
22 NDG NAG NAG 0.602941 0.918367
23 NAG NDG 0.602941 0.846154
24 NAG NAG NAG NAG NDG 0.602941 0.918367
25 NDG NAG NAG NAG 0.602941 0.918367
26 NAG NAG NDG NAG 0.602941 0.918367
27 CTO 0.602941 0.918367
28 NAG NAG 0.602941 0.846154
29 NAG NAG NAG NAG NAG 0.602941 0.918367
30 NAG NAG NAG NDG 0.602941 0.918367
31 NAG NAG NDG 0.602941 0.918367
32 NDG NAG NAG NDG 0.602941 0.918367
33 NAG NAG NAG NAG NAG NAG NAG NAG 0.602941 0.918367
34 NAG NAG NAG NAG NAG NAG 0.602941 0.918367
35 A2G GLA FUC 0.597222 0.978261
36 FUC GLA A2G 0.597222 0.978261
37 FUC GAL A2G 0.597222 0.978261
38 A2G GAL FUC 0.597222 0.978261
39 NGA GAL FUC 0.597222 0.978261
40 NAG MAN MMA 0.583333 0.957447
41 3QL 0.577465 0.865385
42 MAN MAN NAG 0.567568 0.957447
43 GLA NAG GAL FUC 0.564103 0.978261
44 GAL NAG GAL FUC 0.564103 0.978261
45 NAG MAN MAN 0.56 1
46 M3M 0.559322 0.733333
47 MAG 0.559322 0.893617
48 2F8 0.559322 0.893617
49 MAN GLC 0.559322 0.733333
50 NGR 0.559322 0.733333
51 LB2 0.559322 0.733333
52 BGC FUC GAL FUC A2G 0.548781 0.957447
53 GLC FUC GAL FUC A2G 0.548781 0.957447
54 NAG NAG NAG NAG 0.546667 0.849057
55 NAG NAG NAG 0.546667 0.849057
56 NAG MAN BMA MAN NAG GAL 0.539326 0.9375
57 FUC GAL NAG GAL FUC 0.536585 0.957447
58 NAG AMU 0.532468 0.9
59 AH0 NAG 0.532468 0.833333
60 NAG MUB 0.532468 0.9
61 NAG MAN 0.528571 0.957447
62 GN1 0.52381 0.75
63 NG1 0.52381 0.75
64 Z4S NAG NAG 0.518987 0.849057
65 LAT NAG GAL 0.518987 1
66 GLC GAL NAG GAL 0.518987 1
67 BMA Z4Y NAG 0.518519 0.978261
68 BGC BGC BGC GLC BGC BGC 0.515625 0.733333
69 GLC BGC BGC BGC BGC BGC BGC 0.515625 0.733333
70 NAG BDP NAG BDP NAG BDP NAG 0.511905 0.9
71 3YW 0.507463 0.913043
72 MA8 0.507042 0.843137
73 NAG NM9 0.506494 0.882353
74 GAL NAG GAL NAG GAL NAG 0.506329 0.918367
75 NAG GAL GAL NAG 0.506329 0.9375
76 A2G GAL BGC FUC 0.505882 0.978261
77 NAG GAL 2NA 0.505495 0.882353
78 NOJ NAG NAG NAG 0.5 0.803571
79 A2G GAL 0.5 1
80 GAL NGA 0.5 1
81 GAL A2G 0.5 1
82 NOJ NAG NAG 0.5 0.818182
83 NGT NAG 0.5 0.775862
84 GAL NAG GAL GLC 0.493671 1
85 BGC GAL NAG GAL 0.493671 1
86 A2G GAL NAG FUC 0.488372 0.918367
87 FUC GAL NAG A2G 0.488372 0.918367
88 GAL NGA GLA BGC GAL 0.487805 1
89 DLD 0.4875 0.775862
90 TNR 0.485714 0.86
91 A2G GAL NAG FUC GAL GLC 0.484211 0.918367
92 GLC GAL NAG GAL FUC A2G 0.484211 0.918367
93 FUC BGC GAL NAG GAL 0.483146 0.978261
94 FHY 0.482353 0.849057
95 NAG AH0 0.481928 0.833333
96 GAL NAG GAL BGC 0.481928 0.957447
97 LEC NGA 0.481928 0.703125
98 BMA MAN MAN MAN 0.478261 0.733333
99 NAG GAL FUC FUC A2G 0.477273 0.918367
100 FUC GAL NAG A2G FUC 0.477273 0.918367
101 NAG A2G GAL 0.475 0.9375
102 NDG 0.474576 0.888889
103 BM3 0.474576 0.888889
104 HSQ 0.474576 0.888889
105 NGA 0.474576 0.888889
106 NAG 0.474576 0.888889
107 A2G 0.474576 0.888889
108 SN5 SN5 0.472222 0.803922
109 GAL NAG MAN 0.467532 1
110 P3M 0.465753 0.6
111 GYU 0.464789 0.767857
112 6Y2 0.464286 0.703125
113 NAG NAG NGT 0.464286 0.762712
114 GAL NAG GAL 0.4625 0.957447
115 GLA GAL NAG 0.460526 1
116 MAN BMA NAG 0.460526 1
117 SIA GAL NGA 0.458333 0.865385
118 NLC 0.457143 1
119 GAL NDG 0.457143 1
120 NDG GAL 0.457143 1
121 WZ5 0.455556 0.957447
122 BGA 0.449438 0.818182
123 MMA MAN NAG MAN NAG NAG 0.448276 0.9
124 NAG AMU NAG AMV 0.448276 0.882353
125 NAG BMA NAG MAN MAN NAG NAG 0.447917 0.918367
126 TCG 0.444444 0.775862
127 3PV 0.443182 0.9
128 NAG NAG BMA MAN 0.443182 0.865385
129 NAG NDG BMA 0.439024 0.865385
130 NAG NAG BMA 0.439024 0.865385
131 GAL NAG SIA GAL 0.438095 0.849057
132 GAL MGC 0.43662 0.957447
133 AO3 0.433333 0.692308
134 NAA NAA AMI 0.433333 0.692308
135 HD4 0.43038 0.741379
136 NAG MAN BMA NDG MAN NAG GAL 0.43 0.918367
137 CGC 0.428571 0.733333
138 6ZC 0.428571 0.68254
139 LEC 0.428571 0.68254
140 SIA NAG GAL GAL 0.427184 0.849057
141 NAG NAG BMA MAN MAN NAG GAL NAG 0.425743 0.918367
142 M5G 0.425743 0.9375
143 57S 0.425 0.741379
144 GLC NAG GAL GAL FUC 0.423913 0.978261
145 GAL GLC NAG GAL FUC 0.423913 0.978261
146 FUC GAL NAG GAL BGC 0.423913 0.978261
147 GUM 0.423913 0.803571
148 ALA NAG AH0 DAL 0.421053 0.818182
149 DR3 0.419753 0.978261
150 NAG BMA 0.418919 0.897959
151 NAG NAG BMA MAN NAG 0.418367 0.849057
152 GYT 0.417722 0.762712
153 1GN ACY GAL ACY 1GN BGC GAL BGC 0.417582 0.9375
154 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.417582 0.9375
155 NAG NAG BMA MAN MAN NAG NAG 0.417476 0.849057
156 8VZ 0.416667 0.918367
157 SNG 0.415385 0.816327
158 UMG 0.414894 0.803571
159 AMU 0.414286 0.87234
160 NAG AMU ALA DGL 0.414141 0.833333
161 MAN BMA MAN 0.410959 0.733333
162 NAG MU2 0.41 0.818182
163 NAG GDL PHJ 0.40625 0.737705
164 NAG NAG BMA MAN MAN 0.404255 0.9375
165 NAG BDP 0.402597 0.916667
166 GLA GAL NAG FUC GAL GLC 0.402062 0.978261
167 GC4 NAG 0.4 0.916667
168 JXD 0.4 0.661765
Ligand no: 2; Ligand: UDP; Similar ligands found: 117
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 U 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 UFM 0.717949 0.941176
10 GDU 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GUD 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UPP 0.705128 0.941176
17 UDH 0.705128 0.864865
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 UAD 0.670732 0.941176
22 UDX 0.670732 0.941176
23 3UC 0.658824 0.888889
24 USQ 0.654762 0.820513
25 UGB 0.654762 0.955224
26 UGA 0.654762 0.955224
27 G3N 0.647059 0.914286
28 UDM 0.636364 0.914286
29 URI 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 Y6W 0.607143 0.888889
33 CDP 0.605263 0.942029
34 HP7 0.591398 0.941176
35 UD7 0.591398 0.927536
36 MJZ 0.585106 0.914286
37 IUG 0.583333 0.810127
38 F5G 0.578947 0.927536
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 F5P 0.578947 0.914286
42 UD4 0.578947 0.914286
43 CJB 0.573529 0.820895
44 UDZ 0.571429 0.853333
45 DUD 0.571429 0.913043
46 UP5 0.571429 0.853333
47 U U 0.563218 0.955224
48 EPZ 0.56 0.914286
49 5GW 0.559524 0.942029
50 EPU 0.554455 0.901408
51 EEB 0.554455 0.901408
52 U3P 0.547945 0.939394
53 UA3 0.547945 0.939394
54 4TC 0.544554 0.831169
55 HF4 0.54321 0.942029
56 CTP 0.54321 0.942029
57 CSQ 0.531915 0.851351
58 CSV 0.531915 0.851351
59 DUT 0.52439 0.913043
60 4GW 0.516484 0.915493
61 UMA 0.513761 0.914286
62 U4S 0.513158 0.753425
63 U2P 0.506667 0.954545
64 U2S 0.5 0.767123
65 U3S 0.5 0.753425
66 PUP 0.48913 0.913043
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 U22 0.486957 0.790123
70 DKX 0.486486 0.746479
71 U1S 0.482759 0.75
72 A U 0.481132 0.805195
73 2QR 0.478632 0.822785
74 5FU 0.474359 0.914286
75 G U 0.472222 0.7875
76 8OD 0.47191 0.851351
77 C5G 0.468085 0.888889
78 7XL 0.465909 0.888889
79 U U U U 0.461538 0.940298
80 UMF 0.461538 0.857143
81 G8D 0.460674 0.855263
82 UTP U U U 0.456522 0.895522
83 2TU 0.452055 0.774648
84 4RA 0.451613 0.855263
85 C2G 0.450549 0.901408
86 DU 0.45 0.898551
87 UMP 0.45 0.898551
88 C 0.45 0.927536
89 CAR 0.45 0.927536
90 C5P 0.45 0.927536
91 UAG 0.448 0.864865
92 CDC 0.446809 0.777778
93 5BU 0.444444 0.914286
94 UD0 0.444444 0.844156
95 N3E 0.440476 0.733333
96 UC5 0.440476 0.9
97 UUA 0.438356 0.772727
98 DUP 0.431818 0.887324
99 2GW 0.431373 0.901408
100 M7G 0.430108 0.780488
101 CNU 0.428571 0.927536
102 CDM 0.427083 0.842105
103 H6Y 0.425532 0.851351
104 16B 0.421687 0.888889
105 S5P 0.419753 0.915493
106 8GT 0.419355 0.855263
107 CXY 0.418367 0.888889
108 UPA 0.418182 0.842105
109 U2G 0.410714 0.822785
110 U A A U 0.409836 0.842105
111 UML 0.408759 0.810127
112 UP6 0.407407 0.871429
113 M7M 0.40625 0.771084
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
117 PMP UD1 0.401575 0.7875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O7Q; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1o7q.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1O7Q; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1o7q.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1O7Q; Ligand: GAL NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1o7q.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1O7Q; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1o7q.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1O7Q; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1o7q.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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