Receptor
PDB id Resolution Class Description Source Keywords
3FHQ 2.45 Å EC: 3.2.1.96 STRUCTURE OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE A ARTHROBACTER PROTOPHORMIAE ENDO-A GLYCOPROTEIN MAN3GLCNAC-THIAZOLINE GLCNAC-ASN GLYHYDROLASE
Ref.: STRUCTURAL BASIS AND CATALYTIC MECHANISM FOR THE DU FUNCTIONAL ENDO-BETA-N-ACETYLGLUCOSAMINIDASE A PLOS ONE V. 4 E4658 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA NGT MAN MAN C:1;
E:1;
G:1;
H:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
705.684 n/a O(CC1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FHQ 2.45 Å EC: 3.2.1.96 STRUCTURE OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE A ARTHROBACTER PROTOPHORMIAE ENDO-A GLYCOPROTEIN MAN3GLCNAC-THIAZOLINE GLCNAC-ASN GLYHYDROLASE
Ref.: STRUCTURAL BASIS AND CATALYTIC MECHANISM FOR THE DU FUNCTIONAL ENDO-BETA-N-ACETYLGLUCOSAMINIDASE A PLOS ONE V. 4 E4658 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3FHQ - BMA NGT MAN MAN 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 2 families.
1 3FHQ - BMA NGT MAN MAN 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 2 families.
1 3FHQ - BMA NGT MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA NGT MAN MAN; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA NGT MAN MAN 1 1
2 MMA MAN MAN 0.560976 0.666667
3 NGT GAL 0.547619 1
4 BGC BGC BGC BGC 0.522727 0.66
5 NGT NAG 0.505376 0.862069
6 BMA MAN MAN MAN MAN 0.505376 0.666667
7 NAG NAG MAN MAN MAN 0.504854 0.661017
8 BMA MAN MAN 0.5 0.66
9 BMA MAN MAN MAN 0.478261 0.653846
10 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.476636 0.696429
11 NAG BMA MAN MAN MAN MAN 0.475728 0.696429
12 NAG NGT NAG 0.474747 0.847458
13 SN5 NGT 0.473684 0.909091
14 H1M MAN MAN 0.472527 0.62963
15 BGC GLC GLC 0.471264 0.66
16 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.458716 0.696429
17 NDG BMA MAN MAN NAG MAN MAN 0.452174 0.661017
18 GLC GLC GLC GLC GLC 0.450549 0.66
19 BGC GLC GLC GLC 0.450549 0.66
20 1GN ACY GAL 1GN BGC ACY GAL BGC 0.447619 0.661017
21 SN5 NGT SN5 0.445545 0.909091
22 GLC GLC GLC 0.43956 0.634615
23 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.432203 0.661017
24 NAG BMA MAN MAN MAN MAN MAN 0.43 0.62963
25 BGC GAL GLA 0.425287 0.66
26 NAG NAG BMA MAN MAN MAN MAN 0.425 0.619048
27 NAG BMA MAN MAN NAG GAL NAG GAL 0.424779 0.677966
28 MAN BMA MAN MAN MAN MAN MAN 0.423077 0.666667
29 BGC GAL NAG NAG GAL GAL 0.422018 0.661017
30 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.420561 0.607143
31 MAN MAN MAN 0.416667 0.647059
32 NAG NAG FUL BMA MAN MAN NAG GAL 0.416 0.634921
33 MAN MAN MAN MAN MAN MAN MAN 0.415842 0.66
34 BMA BMA BMA BMA GLA 0.414894 0.66
35 C4W NAG FUC BMA MAN MAN NAG 0.414062 0.645161
36 NGT 0.407407 0.9
37 GNL 0.407407 0.9
38 NDG BMA MAN MAN NAG GAL NAG 0.40678 0.677966
39 BGC BGC BGC BGC BGC BGC BGC BGC 0.406593 0.66
40 MAN MAN BMA 0.406593 0.634615
41 NAG NAG BMA MAN MAN NAG GAL NAG 0.403361 0.677966
42 KDO MAN MAN MAN MAN MAN 0.4 0.62963
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA NGT 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 : 3FHQ; Ligand: BMA NGT 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: 3fhq.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3FHQ; Ligand: BMA NGT 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: 3fhq.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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