Receptor
PDB id Resolution Class Description Source Keywords
3VCA 1.59 Å EC: 1.-.-.- QUATERNARY AMMONIUM OXIDATIVE DEMETHYLATION: X-RAY CRYSTALLO RESONANCE RAMAN AND UV-VISIBLE SPECTROSCOPIC ANALYSIS OF A T YPE DEMETHYLASE SINORHIZOBIUM MELILOTI RIESKE-TYPE MONONUCLEAR NON-HEME IRON N-DEMETHYLASE OXIDO
Ref.: QUATERNARY AMMONIUM OXIDATIVE DEMETHYLATION: X-RAY CRYSTALLOGRAPHIC, RESONANCE RAMAN, AND UV-VISIBLE SPECTROSCOPIC ANALYSIS OF A RIESKE-TYPE DEMETHYLASE J.AM.CHEM.SOC. V. 134 2823 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:502;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
FES A:501;
Part of Protein;
none;
submit data
175.82 Fe2 S2 S1[Fe...
GOL A:503;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PRO A:504;
Valid;
none;
submit data
115.13 C5 H9 N O2 C1C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VCA 1.59 Å EC: 1.-.-.- QUATERNARY AMMONIUM OXIDATIVE DEMETHYLATION: X-RAY CRYSTALLO RESONANCE RAMAN AND UV-VISIBLE SPECTROSCOPIC ANALYSIS OF A T YPE DEMETHYLASE SINORHIZOBIUM MELILOTI RIESKE-TYPE MONONUCLEAR NON-HEME IRON N-DEMETHYLASE OXIDO
Ref.: QUATERNARY AMMONIUM OXIDATIVE DEMETHYLATION: X-RAY CRYSTALLOGRAPHIC, RESONANCE RAMAN, AND UV-VISIBLE SPECTROSCOPIC ANALYSIS OF A RIESKE-TYPE DEMETHYLASE J.AM.CHEM.SOC. V. 134 2823 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3VCP - PRO C5 H9 N O2 C1C[C@H](N....
2 3VCA - PRO C5 H9 N O2 C1C[C@H](N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3VCP - PRO C5 H9 N O2 C1C[C@H](N....
2 3VCA - PRO C5 H9 N O2 C1C[C@H](N....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3VCP - PRO C5 H9 N O2 C1C[C@H](N....
2 3VCA - PRO C5 H9 N O2 C1C[C@H](N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO 1 1
2 YCP 0.769231 0.875
3 LPD 0.571429 0.722222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VCA; Ligand: PRO; 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: 3vca.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VCA; Ligand: PRO; 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: 3vca.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VCA; Ligand: PRO; 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: 3vca.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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