Receptor
PDB id Resolution Class Description Source Keywords
4JX1 2.09 Å EC: 1.14.15.1 CRYSTAL STRUCTURE OF REDUCED CYTOCHROME P450CAM-PUTIDAREDOXI BOUND TO CAMPHOR AND 5-EXO-HYDROXYCAMPHOR PSEUDOMONAS PUTIDA REDUCED P450CAM-PDX COMPLEX REDOX PARTNERS OXIDOREDUCTASE-TRANSPORT COMPLEX
Ref.: STRUCTURAL BASIS FOR EFFECTOR CONTROL AND REDOX PAR RECOGNITION IN CYTOCHROME P450. SCIENCE V. 340 1227 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA F:504;
B:503;
E:505;
A:504;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
HEM E:501;
B:501;
A:501;
F:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
CAM A:502;
B:502;
F:502;
E:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
152.233 C10 H16 O CC1([...
FES H:201;
D:201;
G:201;
C:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
1N0 E:504;
Invalid;
none;
submit data
280.32 C14 H20 N2 O4 C1CC(...
CAH F:503;
A:503;
E:503;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
168.233 C10 H16 O2 CC1([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JX1 2.09 Å EC: 1.14.15.1 CRYSTAL STRUCTURE OF REDUCED CYTOCHROME P450CAM-PUTIDAREDOXI BOUND TO CAMPHOR AND 5-EXO-HYDROXYCAMPHOR PSEUDOMONAS PUTIDA REDUCED P450CAM-PDX COMPLEX REDOX PARTNERS OXIDOREDUCTASE-TRANSPORT COMPLEX
Ref.: STRUCTURAL BASIS FOR EFFECTOR CONTROL AND REDOX PAR RECOGNITION IN CYTOCHROME P450. SCIENCE V. 340 1227 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4JX1 - CAM C10 H16 O CC1([C@@H]....
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 4JX1 - CAM C10 H16 O CC1([C@@H]....
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 4JX1 - CAM C10 H16 O CC1([C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CAM 1 1
2 TCM 0.566667 0.678571
Ligand no: 2; Ligand: CAH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CAH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JX1; Ligand: CAH; 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: 4jx1.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4JX1; Ligand: CAM; 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: 4jx1.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4JX1; Ligand: CAM; 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: 4jx1.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4JX1; Ligand: CAH; 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: 4jx1.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4JX1; Ligand: CAM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4jx1.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4JX1; Ligand: CAM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4jx1.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4JX1; Ligand: CAH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4jx1.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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