Receptor
PDB id Resolution Class Description Source Keywords
6VCH 2.35 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF NITROSOTALEA DEVANATERRA CAROTENOID CLE DIOXYGENASE IN COMPLEX WITH 3-HYDROXY-BETA-APO-14'-CAROTENA CANDIDATUS NITROSOTALEA DEVANATERRA NON-HEME IRON ENZYME CAROTENOID APOCAROTENOID MONONUCLEARBETA PROPELLER RPE65 DIOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR CAROTENOID CLEAVAGE BY AN ARCH CAROTENOID DIOXYGENASE. PROC.NATL.ACAD.SCI.USA V. 117 19914 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO B:501;
A:501;
E:501;
C:501;
F:1000;
D:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
58.933 Co [Co+2...
CL A:503;
E:502;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
QVM A:502;
B:503;
C:502;
D:502;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
326.472 C22 H30 O2 CC1=C...
NA C:503;
B:502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6VCH 2.35 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF NITROSOTALEA DEVANATERRA CAROTENOID CLE DIOXYGENASE IN COMPLEX WITH 3-HYDROXY-BETA-APO-14'-CAROTENA CANDIDATUS NITROSOTALEA DEVANATERRA NON-HEME IRON ENZYME CAROTENOID APOCAROTENOID MONONUCLEARBETA PROPELLER RPE65 DIOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR CAROTENOID CLEAVAGE BY AN ARCH CAROTENOID DIOXYGENASE. PROC.NATL.ACAD.SCI.USA V. 117 19914 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 6VCH - QVM C22 H30 O2 CC1=C(C(C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 6VCH - QVM C22 H30 O2 CC1=C(C(C[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6VCH - QVM C22 H30 O2 CC1=C(C(C[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QVM; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 QVM 1 1
2 3ON 0.765625 0.8
3 EQ3 0.671233 0.862069
4 RET 0.464789 0.642857
5 45D 0.410959 0.677419
6 9CR 0.402597 0.724138
7 REA 0.402597 0.724138
Similar Ligands (3D)
Ligand no: 1; Ligand: QVM; Similar ligands found: 1
No: Ligand Similarity coefficient
1 R12 0.8738
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6VCH; Ligand: QVM; 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: 6vch.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6VCH; Ligand: QVM; 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: 6vch.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6VCH; Ligand: QVM; 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: 6vch.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6VCH; Ligand: QVM; 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: 6vch.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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