Receptor
PDB id Resolution Class Description Source Keywords
3BQF 2.24 Å EC: 1.8.4.11 STRUCTURE OF THE CENTRAL DOMAIN (MSRA) OF NEISSERIA MENINGIT (COMPLEX WITH A SUBSTRATE) NEISSERIA MENINGITIDIS PILB METHIONINE SULFOXIDE REDUCTASE A COMPLEX WITH A SUBSTELECTRON TRANSPORT MULTIFUNCTIONAL ENZYME OXIDOREDUCTASEACTIVE CENTER TRANSPORT
Ref.: A STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM OF METHIONINE SULFOXIDE REDUCTASE A FROM NEISSERIA MEN J.MOL.BIOL. V. 377 268 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SSM A:400;
Valid;
none;
submit data
220.289 C8 H16 N2 O3 S CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BQF 2.24 Å EC: 1.8.4.11 STRUCTURE OF THE CENTRAL DOMAIN (MSRA) OF NEISSERIA MENINGIT (COMPLEX WITH A SUBSTRATE) NEISSERIA MENINGITIDIS PILB METHIONINE SULFOXIDE REDUCTASE A COMPLEX WITH A SUBSTELECTRON TRANSPORT MULTIFUNCTIONAL ENZYME OXIDOREDUCTASEACTIVE CENTER TRANSPORT
Ref.: A STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM OF METHIONINE SULFOXIDE REDUCTASE A FROM NEISSERIA MEN J.MOL.BIOL. V. 377 268 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3BQF - SSM C8 H16 N2 O3 S CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3BQF - SSM C8 H16 N2 O3 S CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3BQF - SSM C8 H16 N2 O3 S CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SSM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 SSM 1 1
2 RSM 1 1
3 8WS 0.458333 0.659574
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BQF; Ligand: SSM; 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: 3bqf.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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