Receptor
PDB id Resolution Class Description Source Keywords
2VE3 2.1 Å EC: 1.14.-.- RETINOIC ACID BOUND CYANOBACTERIAL CYP120A1 SYNECHOCYSTIS SP. OXIDOREDUCTASE MONOOXYGENASE METAL-BINDING HEME IRON
Ref.: CRYSTAL STRUCTURES OF SUBSTRATE-FREE AND RETINOIC ACID-BOUND CYANOBACTERIAL CYTOCHROME P450 CYP120A1. BIOCHEMISTRY V. 47 6552 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:1444;
B:1444;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
REA A:1445;
B:1445;
Valid;
Valid;
none;
none;
Kd < 1 uM
300.435 C20 H28 O2 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VE3 2.1 Å EC: 1.14.-.- RETINOIC ACID BOUND CYANOBACTERIAL CYP120A1 SYNECHOCYSTIS SP. OXIDOREDUCTASE MONOOXYGENASE METAL-BINDING HEME IRON
Ref.: CRYSTAL STRUCTURES OF SUBSTRATE-FREE AND RETINOIC ACID-BOUND CYANOBACTERIAL CYTOCHROME P450 CYP120A1. BIOCHEMISTRY V. 47 6552 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2VE3 Kd < 1 uM REA C20 H28 O2 CC1=C(C(CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2VE3 Kd < 1 uM REA C20 H28 O2 CC1=C(C(CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2VE3 Kd < 1 uM REA C20 H28 O2 CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: REA; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 REA 1 1
2 9CR 1 1
3 BCR 0.724138 0.730769
4 RET 0.704918 0.84
5 AZE 0.7 0.76
6 RTL 0.671875 0.758621
7 ECH 0.589041 0.724138
8 45D 0.410959 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VE3; Ligand: REA; 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: 2ve3.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VE3; Ligand: REA; 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: 2ve3.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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