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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 X-RAY STRUCTURE GLYCOPROTEIN MAN3GLCNAC- THIAZOLINE GLCNAC-ASN GLYCOSIDASE HYDROLASE
Ref.: STRUCTURAL BASIS AND CATALYTIC MECHANISM FOR THE DUAL 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 A:622;
B:622;
D:622;
F:622;
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 X-RAY STRUCTURE GLYCOPROTEIN MAN3GLCNAC- THIAZOLINE GLCNAC-ASN GLYCOSIDASE HYDROLASE
Ref.: STRUCTURAL BASIS AND CATALYTIC MECHANISM FOR THE DUAL 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
Ligand no: 1; Ligand: BMA NGT MAN MAN; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA NGT MAN MAN 1 1
2 MAN MMA MAN 0.560976 0.666667
3 GAL NGT 0.547619 1
4 NGT GAL 0.547619 1
5 MAN MAN BMA MAN 0.523256 0.66
6 MAN MAN MAN MAN 0.523256 0.66
7 MAN BMA MAN MAN MAN 0.517241 0.66
8 M5S 0.517241 0.66
9 NGT NAG 0.505376 0.862069
10 NAG NAG BMA MAN MAN 0.504854 0.661017
11 WZ3 0.5 0.686275
12 MAN BMA MAN 0.5 0.66
13 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.476636 0.696429
14 NAG BMA MAN MAN MAN MAN 0.475728 0.696429
15 NAG NAG NGT 0.474747 0.847458
16 SN5 NGT 0.473684 0.909091
17 MAN MAN MAN BMA MAN 0.468085 0.66
18 M5G 0.452174 0.661017
19 GLC GLC GLC BGC 0.450549 0.66
20 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.447619 0.661017
21 1GN ACY GAL ACY 1GN BGC GAL BGC 0.447619 0.661017
22 SN5 SN5 NGT 0.445545 0.909091
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 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.429825 0.65
26 GLA GAL GAL 0.425287 0.66
27 NAG NAG BMA MAN MAN MAN MAN 0.425 0.619048
28 MAN BMA NAG NAG MAN NAG GAL GAL 0.424779 0.677966
29 NAG MAN MAN MAN NAG GAL NAG GAL 0.424779 0.677966
30 MAN MAN MAN BMA MAN MAN MAN 0.423077 0.666667
31 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.420561 0.607143
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 GLA BMA BMA 0.414894 0.66
35 FUC C4W NAG BMA MAN MAN NAG 0.414062 0.645161
36 NGT 0.407407 0.9
37 GNL 0.407407 0.9
38 NAG MAN BMA NDG MAN NAG GAL 0.40678 0.677966
39 BGC BGC BGC BGC BGC BGC BGC BGC 0.406593 0.66
40 NAG NAG BMA MAN MAN NAG GAL NAG 0.403361 0.677966
41 KDO MAN MAN MAN MAN MAN 0.4 0.62963
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: 25
This union binding pocket(no: 1) in the query (biounit: 3fhq.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6B0K G4S 9RN G4S 9RN G4S 1.77384
2 6B0K 9RN G4S 9RN G4S 1.77384
3 3HQP OXL 1.80361
4 4AMW 5DI 1.93237
5 5EXK 5AD 2.41692
6 2WK2 SN5 SN5 NGT 2.59259
7 2WK2 SN5 SN5 2.59259
8 1V0L XIF XYP 2.8754
9 1NVM OXL 2.89855
10 2E40 LGC 3.22581
11 4RW3 IPD 3.31126
12 6GL0 GLC BGC BGC 3.32326
13 4Z1D PEP 3.62319
14 5FYR INS 4.36242
15 4JN6 OXL 4.57516
16 5C2F JTH 5.03597
17 1LBF 137 5.26316
18 1ZPT FAD 5.26316
19 5D4Y BXP 5.35211
20 1HKK NAA NAA AMI 5.49451
21 4TXE 38F 6.12245
22 5T9C G3P 7.08955
23 6ARJ BW4 7.44986
24 1NC2 DOE 16.7421
25 1NC4 DOF 16.7421
Pocket No.: 2; Query (leader) PDB : 3FHQ; Ligand: BMA NGT MAN MAN; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 3fhq.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3VBK 0FX 2.43902
2 5LA1 XYP 2.44399
3 2YVE MBT 3.24324
4 1Q6I FK5 4.46429
5 6FC1 MGP 9.375
6 5D6T NGA 10.2941
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