Receptor
PDB id Resolution Class Description Source Keywords
5ZIC 2.1 Å EC: 2.4.1.155 CRYSTAL STRUCTURE OF HUMAN GNT-V LUMINAL DOMAIN IN COMPLEX W ACCEPTOR SUGAR HOMO SAPIENS GLYCOSYLTRANSFERASE CANCER METASTASIS LUMINAL PROTEIN SUGARPROTEIN
Ref.: STRUCTURE AND MECHANISM OF CANCER-ASSOCIATED N-ACETYLGLUCOSAMINYLTRANSFERASE-V. NAT COMMUN V. 9 3380 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA Z4Y NAG C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
561.558 n/a SCC1C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZIC 2.1 Å EC: 2.4.1.155 CRYSTAL STRUCTURE OF HUMAN GNT-V LUMINAL DOMAIN IN COMPLEX W ACCEPTOR SUGAR HOMO SAPIENS GLYCOSYLTRANSFERASE CANCER METASTASIS LUMINAL PROTEIN SUGARPROTEIN
Ref.: STRUCTURE AND MECHANISM OF CANCER-ASSOCIATED N-ACETYLGLUCOSAMINYLTRANSFERASE-V. NAT COMMUN V. 9 3380 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ZIC - BMA Z4Y NAG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ZIC - BMA Z4Y NAG n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ZIC - BMA Z4Y NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA Z4Y NAG; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA Z4Y NAG 1 1
2 MAN MAN MAN NAG NAG 0.682353 0.918367
3 GAL NAG 0.644737 0.978261
4 BMA MAN MAN NAG GAL NAG 0.608247 0.918367
5 MMA MAN NAG MAN NAG NAG 0.55914 0.882353
6 NDG BMA MAN MAN NAG GAL NAG 0.542857 0.9
7 NAG NAG BMA MAN MAN NAG GAL NAG 0.537736 0.9
8 GYP GZL NAG 0.536842 0.882353
9 YZ0 MAN MAN NAG MAN 0.530612 0.9375
10 C4W NAG FUC BMA MAN NAG 0.527273 0.849057
11 MAN NAG 0.525 0.978261
12 BGC GAL NGA 0.523256 0.978261
13 A2G NAG 0.512195 0.918367
14 GDL NAG 0.512195 0.918367
15 NDG BMA MAN MAN NAG MAN MAN 0.509259 0.918367
16 MAN MAN NAG 0.5 0.9375
17 NAG NAG BMA MAN MAN NAG NAG 0.5 0.833333
18 BGC GAL NAG 0.5 0.978261
19 NAG BMA MAN MAN NAG GAL NAG GAL 0.495238 0.9
20 MMA MAN NAG 0.494382 0.9375
21 GAL NGA A2G 0.494253 0.918367
22 BMA MAN NAG 0.488889 0.978261
23 NAG NAG NAG NAG NAG NAG 0.488372 0.9
24 NAG NAG NAG NAG NAG 0.488372 0.9
25 NDG NAG NAG NAG NAG 0.488372 0.9
26 NAG NAG NAG NAG NAG NAG NAG NAG 0.488372 0.9
27 NDG NAG 0.482353 0.9
28 C4W NAG FUC BMA MAN MAN NAG 0.475 0.849057
29 BGC GAL GLA NGA 0.473684 0.978261
30 C4W NAG FUC BMA MAN NAG GAL 0.473684 0.762712
31 A2G GAL NAG 0.473118 0.918367
32 C4W NAG FUC BMA MAN MAN NAG NAG 0.470588 0.849057
33 MBG A2G 0.470588 0.9375
34 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.466102 0.818182
35 NAG ASN NAG BMA MAN MAN NAG NAG 0.466102 0.803571
36 NAG NAG BMA MAN NAG 0.465347 0.9
37 GAL NGA 0.465116 0.916667
38 YZ0 MAN Z4Y NAG MAN 0.464286 0.92
39 NDG GLA NAG GLC RAM 0.463636 0.9
40 NDG NAG GLA NAG GLC RAM 0.463636 0.9
41 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.460177 0.918367
42 MBG NAG 0.458824 0.9375
43 AMU NAG 0.457447 0.882353
44 GAL FUC A2G 0.456522 0.957447
45 BGC GAL FUC A2G 0.455446 0.957447
46 MAN BMA MAN MAN MAN MAN MAN 0.454545 0.723404
47 BGC GAL NAG NAG GAL GAL 0.451923 0.918367
48 NAG GAL NAG 0.451613 0.918367
49 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.451613 0.762712
50 NDG GLA GLC NAG GLC RAM 0.451327 0.9
51 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.448598 0.978261
52 NAG NAG NAG NAG NAG NAG NAG 0.43617 0.833333
53 NAG NAG NAG 0.43617 0.833333
54 NAG NAG NAG NAG 0.43617 0.833333
55 MAN MAN MAN MAN MAN MAN MAN 0.43299 0.717391
56 MA8 0.431818 0.862745
57 NGT NAG 0.431579 0.793103
58 NAG NAG FUL BMA MAN MAN NAG GAL 0.429752 0.833333
59 AH0 NAG 0.427083 0.818182
60 Z3Q NGA 0.427083 0.75
61 BGC GLC GLC GLC GLC 0.425 0.717391
62 BGC GLC GLC GLC GLC GLC 0.425 0.717391
63 NAG NAG MAN MAN MAN 0.424528 0.918367
64 3QL 0.423913 0.849057
65 2F8 0.423077 0.875
66 MAG 0.423077 0.875
67 BGC FUC GAL NAG 0.421569 0.957447
68 NAG NGT NAG 0.42 0.779661
69 GN1 0.419753 0.736842
70 NG1 0.419753 0.736842
71 MAN NAG GAL 0.419355 0.978261
72 BGC FUC GAL FUC A2G 0.417476 0.9375
73 GAL NAG GAL 0.414894 0.978261
74 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.412844 0.978261
75 NGA THR GAL NAG 0.411215 0.865385
76 NAG NGO 0.410526 0.833333
77 1GN ACY GAL 1GN BGC ACY GAL BGC 0.409524 0.918367
78 AMV NAG AMU NAG 0.407767 0.865385
79 NM9 NAG 0.40625 0.865385
80 LEC NGA 0.405941 0.692308
81 NAG AH0 0.405941 0.818182
82 6Y2 0.405941 0.692308
83 NAG GAL FUC FUC A2G 0.40566 0.9
84 NAG FUC GAL FUC A2G 0.40566 0.9
85 Z4S NAG NAG 0.40404 0.833333
86 NAG NOJ NAG NAG 0.40404 0.789474
87 NAG NOJ NAG 0.40404 0.803571
88 NAG BDP NAG BDP NAG BDP NAG 0.403846 0.882353
89 HSH A2G FUC 0.403846 0.803571
90 GLC GAL NAG GAL FUC A2G 0.403509 0.9
91 NAG NAG BMA MAN MAN MAN MAN 0.403361 0.849057
92 NAG GAL BGC GAL 0.402062 0.978261
93 NAG GAL GLC NAG GLC RAM 0.401961 0.918367
94 GUM 0.401869 0.789474
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA Z4Y NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ZIC; Ligand: BMA Z4Y NAG; 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: 5zic.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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