Receptor
PDB id Resolution Class Description Source Keywords
2YIV 1.28 Å EC: 1.2.99.2 NI,FE-CODH WITH N-BUTYLISOCYANATE STATE CARBOXYDOTHERMUS HYDROGENOFORMANS OXIDOREDUCTASE
Ref.: N-BUTYL ISOCYANIDE OXIDATION AT THE [NIFE4S4OH(X)] OF CO DEHYDROGENASE. J.BIOL.INORG.CHEM. V. 17 167 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE X:5004;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
FES X:5001;
Part of Protein;
none;
submit data
175.82 Fe2 S2 S1[Fe...
NBN X:5005;
Valid;
none;
submit data
83.132 C5 H9 N CCCC[...
SF4 X:5000;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
WCC X:5002;
Invalid;
none;
submit data
354.488 Fe3 Ni S4 [S]12...
YIV X:5003;
Valid;
none;
submit data
101.147 C5 H11 N O CCCCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YIV 1.28 Å EC: 1.2.99.2 NI,FE-CODH WITH N-BUTYLISOCYANATE STATE CARBOXYDOTHERMUS HYDROGENOFORMANS OXIDOREDUCTASE
Ref.: N-BUTYL ISOCYANIDE OXIDATION AT THE [NIFE4S4OH(X)] OF CO DEHYDROGENASE. J.BIOL.INORG.CHEM. V. 17 167 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2YIV - NBN C5 H9 N CCCC[N+]#[....
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 2YIV - NBN C5 H9 N CCCC[N+]#[....
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 2YIV - NBN C5 H9 N CCCC[N+]#[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NBN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 NBN 1 1
Ligand no: 2; Ligand: YIV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 YIV 1 1
2 HPL 0.592593 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YIV; Ligand: YIV; 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: 2yiv.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YIV; Ligand: YIV; 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: 2yiv.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YIV; Ligand: NBN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2yiv.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2YIV; Ligand: NBN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2yiv.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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