Receptor
PDB id Resolution Class Description Source Keywords
3GXY 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CYANOVIRIN-N COMPLEXED TO A SYNTHETIC HEXAMANNOSIDE NOSTOC ELLIPSOSPORUM CYANOVIRIN-N HIV-INACTIVATING DOMAIN-SWAPPING GP120 MAN-OLIGOSACCHARIDE ANTIVIRAL PROTEIN DISULFIDE BOND PROTEINSYNTHESIS INHIBITOR
Ref.: STRUCTURES OF THE COMPLEXES OF A POTENT ANTI-HIV PR CYANOVIRIN-N AND HIGH MANNOSE OLIGOSACCHARIDES J.BIOL.CHEM. V. 277 34336 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:102;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
NHE A:301;
 Invalid;
 none;
 submit data
207.29 C8 H17 N O3 S C1CCC...
OPM MAN MAN C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
574.573 n/a O(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GXZ 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CYANOVIRIN-N COMPLEXED TO OLIGOMANNOSE- NOSTOC ELLIPSOSPORUM CYANOVIRIN-N HIV-INACTIVATING DOMAIN-SWAPPING GP120 MAN-OLIGOSACCHARIDE ANTIVIRAL PROTEIN DISULFIDE BOND PROTEINSYNTHESIS INHIBITOR
Ref.: STRUCTURES OF THE COMPLEXES OF A POTENT ANTI-HIV PR CYANOVIRIN-N AND HIGH MANNOSE OLIGOSACCHARIDES J.BIOL.CHEM. V. 277 34336 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3GXY - OPM MAN MAN n/a n/a
2 3GXZ Kd = 13 nM NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3GXY - OPM MAN MAN n/a n/a
2 3GXZ Kd = 13 nM NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN n/a n/a
3 2PYS - MAN MAN n/a n/a
4 2RDK - MAN MAN n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3GXY - OPM MAN MAN n/a n/a
2 3GXZ Kd = 13 nM NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN n/a n/a
3 2PYS - MAN MAN n/a n/a
4 2RDK - MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OPM MAN MAN; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 OPM MAN MAN 1 1
2 MAN MAN MAN GLC 0.575342 0.804878
3 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.568182 0.928571
4 NAG BMA MAN MAN MAN MAN MAN 0.554217 0.795455
5 LMT 0.546667 0.97619
6 LMU 0.546667 0.97619
7 DMU 0.546667 0.97619
8 UMQ 0.546667 0.97619
9 JZR 0.522388 0.904762
10 BHG 0.522388 0.904762
11 HEX GLC 0.522388 0.904762
12 GLC NBU GAL GLA 0.52 0.951219
13 B7G 0.514706 0.928571
14 KGM 0.514706 0.928571
15 4YA 0.512821 0.953488
16 HSJ 0.507246 0.928571
17 BNG 0.507246 0.928571
18 BOG 0.507246 0.928571
19 MAN BMA MAN MAN MAN MAN MAN 0.505618 0.809524
20 BHE 0.5 0.953488
21 DEG 0.5 0.878049
22 HSH GLA FUC 0.493976 0.953488
23 MBG GAL 0.492754 0.809524
24 MBG GLA 0.492537 0.809524
25 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.484536 0.653846
26 MAN MAN MAN MAN MAN MAN MAN 0.465909 0.804878
27 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.464646 0.653846
28 AFO 0.463768 0.840909
29 MMA MAN MAN 0.461538 0.809524
30 BGC 5VQ GAL GLA 0.460526 0.902439
31 BGC BGC BGC 0.452055 0.804878
32 BGC BGC BGC BGC BGC 0.452055 0.804878
33 BGC BGC BGC BGC BGC BGC BGC 0.452055 0.804878
34 GLC BGC BGC BGC 0.452055 0.804878
35 BGC BGC BGC BGC BGC BGC 0.452055 0.804878
36 BGC GAL GLA 0.447368 0.804878
37 BQZ 0.439394 0.731707
38 6UZ 0.433735 0.818182
39 MMA MAN NAG 0.430233 0.62963
40 NDG BMA MAN MAN NAG MAN MAN 0.429907 0.618182
41 YZ0 MAN MAN NAG MAN 0.428571 0.62963
42 BGC BGC BGC BGC 0.428571 0.804878
43 GLC EDO GLC 0.426667 0.809524
44 BGC BGC BGC BGC BGC BGC BGC BGC 0.425 0.804878
45 MAN MAN MAN MAN MAN MAN MAN MAN 0.42268 0.702128
46 GAL GLA 0.422535 0.804878
47 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.422018 0.618182
48 FK9 0.421053 0.840909
49 CQX 0.417722 0.906977
50 BMA MAN MAN MAN MAN 0.41573 0.767442
51 BGC GAL FUC 0.414634 0.829268
52 GLC GAL BGC FUC 0.414634 0.829268
53 NAG NAG BMA MAN MAN MAN MAN 0.414414 0.631579
54 BGC GAL NAG GAL FUC 0.414141 0.641509
55 NAG BMA MAN MAN NAG GAL NAG GAL 0.413462 0.607143
56 KDO MAN MAN MAN MAN MAN 0.412844 0.717391
57 NAG GAL GAL 0.411765 0.653846
58 BGC GAL NAG GAL FUC FUC 0.411765 0.62963
59 10M 0.411765 0.911111
60 CM5 0.409091 0.857143
61 GGD 0.40566 0.891304
62 MA4 0.404494 0.857143
63 L6T 0.402439 0.953488
64 BMA MAN MAN MAN 0.402299 0.790698
65 RAM MAN GLA ABE RAM MAN GLA 0.401869 0.795455
66 BMA MAN MAN 0.4 0.804878
Similar Ligands (3D)
Ligand no: 1; Ligand: OPM MAN MAN; 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 : 3GXZ; Ligand: BMA MAN MAN MAN; 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: 3gxz.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GXZ; Ligand: NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN; 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: 3gxz.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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