Receptor
PDB id Resolution Class Description Source Keywords
4GYK 1.8 Å EC: 3.2.1.52 CRYSTAL STRUCTURE OF MUTANT (D318N) BACILLUS SUBTILIS FAMILY GLYCOSIDE HYDROLASE (NAGZ) IN COMPLEX WITH GLCNAC-MURNAC (SP 1211) BACILLUS SUBTILIS SUBSP. SUBTILIS TIM-BARREL HYDROLASE HYDROLASE-SUBSTRATE COMPLEX
Ref.: ACTIVE SITE PLASTICITY WITHIN THE GLYCOSIDE HYDROLA UNDERLIES A DYNAMIC MECHANISM OF SUBSTRATE DISTORTI CHEM.BIOL. V. 19 1471 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MUB NAG D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NVD 1.84 Å EC: 3.2.1.52 STRUCTURE OF YBBD IN COMPLEX WITH PUGNAC BACILLUS SUBTILIS BETA-N-HEXOSAMINIDASE BACILLUS SUBTILIS TIM BARREL GLYCOSHYDROLASE LIPOPROTEIN MEMBRANE PALMITATE
Ref.: STRUCTURAL AND KINETIC ANALYSIS OF BACILLUS SUBTILI N-ACETYLGLUCOSAMINIDASE REVEALS A UNIQUE ASP-HIS DY MECHANISM J.BIOL.CHEM. V. 285 35675 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4GYK - MUB NAG n/a n/a
2 4GYJ - MUB NAG n/a n/a
3 3NVD - OAN C15 H19 N3 O7 CC(=O)N[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 4GYK - MUB NAG n/a n/a
2 4GYJ - MUB NAG n/a n/a
3 3NVD - OAN C15 H19 N3 O7 CC(=O)N[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4GYK - MUB NAG n/a n/a
2 4GYJ - MUB NAG n/a n/a
3 3NVD - OAN C15 H19 N3 O7 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MUB NAG; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: MUB NAG; Similar ligands found: 2
No: Ligand Similarity coefficient
1 MUB NAG 1.0000
2 AMU NAG 0.9375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NVD; Ligand: OAN; 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: 3nvd.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3NVD; Ligand: OAN; 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: 3nvd.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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