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 (19)
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
70% Homology Family (19)
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
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: GAL NAG; Similar ligands found: 173
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG 1 1
2 NGA GAL 1 1
3 NAG GAL 1 1
4 NAG NGA 0.693548 0.9375
5 NAG MBG 0.693548 0.957447
6 NAG A2G 0.693548 0.9375
7 MAN NAG 0.66129 1
8 NAG GAL BGC 0.657143 1
9 NAG GAL GAL NAG GAL 0.652778 0.9375
10 CBS 0.640625 0.9375
11 CBS CBS 0.640625 0.9375
12 NAG NDG 0.640625 0.9375
13 NAG GDL 0.640625 0.9375
14 NGA GLA GAL BGC 0.635135 1
15 NAG GAL NAG 0.633803 0.9375
16 NAG MAN MAN MAN NAG 0.631579 0.9375
17 NGA GAL BGC 0.623188 1
18 FUC BGC GAL NAG 0.615385 0.978261
19 MBG A2G 0.606061 0.957447
20 A2G MBG 0.606061 0.957447
21 NAG NAG NAG NAG 0.602941 0.918367
22 NAG NAG NDG 0.602941 0.918367
23 NAG NAG 0.602941 0.846154
24 NAG NAG NAG NAG NDG NAG 0.602941 0.918367
25 NAG NAG NAG NAG NAG NAG 0.602941 0.918367
26 NAG NAG NAG NAG NDG 0.602941 0.918367
27 NDG NAG NAG NAG 0.602941 0.918367
28 NDG NAG NAG NDG NAG 0.602941 0.918367
29 NAG NAG NAG NDG 0.602941 0.918367
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.602941 0.918367
31 NDG NAG NAG 0.602941 0.918367
32 NDG NAG NAG NDG 0.602941 0.918367
33 CTO 0.602941 0.918367
34 NAG NAG NAG NAG NAG 0.602941 0.918367
35 NAG NAG NAG 0.602941 0.918367
36 FUC GLA A2G 0.597222 0.978261
37 A2G GLA FUC 0.597222 0.978261
38 FUC GAL A2G 0.597222 0.978261
39 A2G GAL FUC 0.597222 0.978261
40 NGA GAL FUC 0.597222 0.978261
41 FUC GL0 A2G 0.597222 0.978261
42 NDG NAG 0.597015 0.918367
43 NAG MAN MMA 0.583333 0.957447
44 3QL 0.577465 0.865385
45 MAN MAN NAG 0.567568 0.957447
46 GAL NAG GAL FUC 0.564103 0.978261
47 GLA NAG GAL FUC 0.564103 0.978261
48 NAG MAN BMA 0.56 1
49 NAG MAN MAN 0.56 1
50 LB2 0.559322 0.733333
51 MAG 0.559322 0.893617
52 2F8 0.559322 0.893617
53 M3M 0.559322 0.733333
54 MAN GLC 0.559322 0.733333
55 BGC FUC GAL FUC A2G 0.548781 0.957447
56 GLC FUC GAL FUC A2G 0.548781 0.957447
57 FUC GAL NAG GAL FUC 0.536585 0.957447
58 AH0 NAG 0.532468 0.833333
59 NAG AMU 0.532468 0.9
60 NAG MUB 0.532468 0.9
61 NAG NGO 0.527027 0.865385
62 GN1 0.52381 0.75
63 NG1 0.52381 0.75
64 GLC GAL NAG GAL 0.518987 1
65 BGC BGC BGC GLC BGC BGC 0.515625 0.733333
66 BGC BGC BGC ASO BGC BGC ASO 0.515625 0.733333
67 BGC BGC BGC 0.515625 0.733333
68 GLC BGC BGC BGC BGC BGC BGC 0.515625 0.733333
69 BGC BGC BGC BGC BGC 0.515625 0.733333
70 GLC BGC BGC BGC 0.515625 0.733333
71 NAG NAG NAG NAG NAG NAG NAG 0.512195 0.833333
72 NAG BDP NAG BDP NAG BDP NAG 0.511905 0.9
73 NAG GCU NAG GCU NAG GCU 5AX 0.511905 0.9
74 3YW 0.507463 0.913043
75 MA8 0.507042 0.843137
76 NAG NM9 0.506494 0.882353
77 NAG GAL GAL NAG 0.506329 0.9375
78 GAL NAG GAL NAG GAL NAG 0.506329 0.918367
79 A2G GAL BGC FUC 0.505882 0.978261
80 NAG GAL 2NA 0.505495 0.882353
81 GAL NGA 0.5 1
82 A2G GAL 0.5 1
83 NOJ NAG NAG 0.5 0.833333
84 NOJ NAG NAG NAG 0.5 0.818182
85 NGT NAG 0.5 0.775862
86 GAL A2G 0.5 1
87 GAL NAG GAL BGC 0.493671 1
88 BGC GAL NAG GAL 0.493671 1
89 LAT NAG GAL 0.493671 1
90 GAL NGA A2G 0.493151 0.918367
91 BGC BGC GLC 0.492537 0.733333
92 A2G GAL NAG FUC 0.488372 0.918367
93 GAL NGA GLA BGC GAL 0.487805 1
94 DLD 0.4875 0.775862
95 TNR 0.485714 0.86
96 BMA MAN MAN 0.485294 0.733333
97 GLC GAL NAG GAL FUC A2G 0.484211 0.918367
98 A2G GAL NAG FUC GAL GLC 0.484211 0.918367
99 FUC BGC GAL NAG GAL 0.483146 0.978261
100 NAG MAN GAL MAN MAN NAG GAL 0.483146 0.9375
101 NAG AH0 0.481928 0.833333
102 LEC NGA 0.481928 0.703125
103 FUC GAL NAG A2G FUC 0.477273 0.918367
104 NAG GAL FUC FUC A2G 0.477273 0.918367
105 HSQ 0.474576 0.888889
106 NAG 0.474576 0.888889
107 NDG 0.474576 0.888889
108 A2G 0.474576 0.888889
109 BM3 0.474576 0.888889
110 NGA 0.474576 0.888889
111 SN5 SN5 0.472222 0.803922
112 GAL NAG MAN 0.467532 1
113 MAN NAG GAL 0.467532 1
114 P3M 0.465753 0.6
115 GYU 0.464789 0.767857
116 NAG NAG NGT 0.464286 0.762712
117 6Y2 0.464286 0.703125
118 GAL NAG GAL 0.4625 0.957447
119 NAG GAL GAL 0.460526 1
120 GLA GAL NAG 0.460526 1
121 MAN BMA NAG 0.460526 1
122 SIA GAL NGA 0.458333 0.865385
123 NDG GAL 0.457143 1
124 NLC 0.457143 1
125 GAL NDG 0.457143 1
126 WZ5 0.455556 0.957447
127 BGA 0.449438 0.818182
128 NAG AMU NAG AMV 0.448276 0.882353
129 MMA MAN NAG MAN NAG NAG 0.448276 0.9
130 NAG BMA NAG MAN MAN NAG NAG 0.447917 0.918367
131 CTO TMX 0.444444 0.775862
132 TCG 0.444444 0.775862
133 NAG NAG BMA MAN 0.443182 0.865385
134 3PV 0.443182 0.9
135 NAG NDG BMA 0.439024 0.865385
136 NAG NAG BMA 0.439024 0.865385
137 GAL NAG SIA GAL 0.438095 0.849057
138 SIA GAL NAG GAL 0.438095 0.849057
139 GAL MGC 0.43662 0.957447
140 AO3 0.433333 0.692308
141 NAG MAN BMA NDG MAN NAG GAL 0.43 0.918367
142 CGC 0.428571 0.733333
143 6ZC 0.428571 0.68254
144 LEC 0.428571 0.68254
145 SIA NAG GAL GAL 0.427184 0.849057
146 M5G 0.425743 0.9375
147 57S 0.425 0.741379
148 FUC NAG 0.424658 0.956522
149 FUC GAL NAG GAL BGC 0.423913 0.978261
150 GUM 0.423913 0.803571
151 NAG GAL FUC 0.419753 0.978261
152 DR3 0.419753 0.978261
153 NAA NAA AMI 0.419355 0.661765
154 NAG BMA 0.418919 0.897959
155 NAG NAG BMA MAN NAG 0.418367 0.849057
156 GYT 0.417722 0.762712
157 1GN ACY GAL ACY 1GN BGC GAL BGC 0.417582 0.9375
158 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.417582 0.9375
159 NAG NAG BMA MAN MAN NAG NAG 0.417476 0.849057
160 8VZ 0.416667 0.918367
161 SNG 0.415385 0.816327
162 UMG 0.414894 0.803571
163 AMU 0.414286 0.87234
164 NAG MU2 0.41 0.818182
165 ALA NAG AH0 DAL 0.408163 0.818182
166 NAG GDL PHJ 0.40625 0.737705
167 MAN MAN NAG MAN NAG 0.404255 0.9375
168 NAG NAG BMA MAN MAN 0.404255 0.9375
169 NAG BDP 0.402597 0.916667
170 GLA GAL NAG FUC GAL GLC 0.402062 0.978261
171 NAG AMU ALA DGL 0.401961 0.833333
172 GC4 NAG 0.4 0.916667
173 GLC GLC GLC GLC 0.4 0.733333
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 : 1O7Q; Ligand: UDP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1O7Q; Ligand: UDP; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 1o7q.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UQK U2F 0.003609 0.41811 3.46021
2 5D3U TRP 0.04596 0.40285 4.84429
3 4YGF AZM 0.01675 0.40093 6.83761
4 1LL2 UPG 0.00000981 0.53677 7.61246
5 3V91 UPG 0.00002982 0.43901 7.61246
6 1JI0 ATP 0.03233 0.41117 8.33333
7 1NC4 DOF 0.04581 0.40177 8.59729
8 3U2U UDP 0.00005686 0.46326 10.6464
9 1GA8 UPF 0.000003313 0.53576 25.6055
10 1GA8 DEL 0.000004643 0.50328 25.6055
Pocket No.: 3; Query (leader) PDB : 1O7Q; Ligand: GAL NAG; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 1o7q.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUW TSU 0.01864 0.40572 None
2 2QLX RM4 0.02686 0.41149 2.77778
3 5UQK U2F 0.00301 0.41598 3.46021
4 2BVL UDP 0.001461 0.40424 3.80623
5 2BVL GLC 0.001461 0.40424 3.80623
6 4M4K GDU 0.0007256 0.40686 5.57491
7 4M4K XYP XYP 0.0007256 0.40686 5.57491
8 2AGD NAG MAN BMA 0.003045 0.40568 7.31707
9 2AGD UDH 0.003304 0.40568 7.31707
10 3U2U UDP 0.00003634 0.48526 10.6464
11 1GA8 UPF 0.000003339 0.52797 25.6055
12 1GA8 DEL 0.000002898 0.49492 25.6055
Pocket No.: 4; Query (leader) PDB : 1O7Q; Ligand: UDP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1O7Q; Ligand: UDP; Similar sites found: 8
This union binding pocket(no: 5) in the query (biounit: 1o7q.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUW TSU 0.01864 0.40572 None
2 2QLX RM4 0.02686 0.41149 2.77778
3 2BVL UDP 0.001461 0.40424 3.80623
4 2BVL GLC 0.001461 0.40424 3.80623
5 4M4K XYP XYP 0.0007256 0.40686 5.57491
6 4M4K GDU 0.0007256 0.40686 5.57491
7 2AGD NAG MAN BMA 0.003045 0.40568 7.31707
8 2AGD UDH 0.003304 0.40568 7.31707
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