Receptor
PDB id Resolution Class Description Source Keywords
4XB4 1.54 Å NON-ENZYME: BINDING STRUCTURE OF THE N-TERMINAL DOMAIN OF OCP BINDING CANTHAXANT SYNECHOCYSTIS SP. PHOTOPROTECTION CAROTENOID BINDING PROTEIN
Ref.: PHOTOSYNTHESIS. A 12 ANGSTROM CAROTENOID TRANSLOCAT PHOTOSWITCH ASSOCIATED WITH CYANOBACTERIAL PHOTOPRO SCIENCE V. 348 1463 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
45D A:201;
B:201;
 Valid;
Valid;
 none;
none;
 submit data
564.84 C40 H52 O2 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XB4 1.54 Å NON-ENZYME: BINDING STRUCTURE OF THE N-TERMINAL DOMAIN OF OCP BINDING CANTHAXANT SYNECHOCYSTIS SP. PHOTOPROTECTION CAROTENOID BINDING PROTEIN
Ref.: PHOTOSYNTHESIS. A 12 ANGSTROM CAROTENOID TRANSLOCAT PHOTOSWITCH ASSOCIATED WITH CYANOBACTERIAL PHOTOPRO SCIENCE V. 348 1463 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4XB4 - 45D C40 H52 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 426 families.
1 4XB4 - 45D C40 H52 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 322 families.
1 4XB4 - 45D C40 H52 O2 CC1=C(C(CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 45D; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 45D 1 1
2 ECH 0.790323 0.857143
3 OXR 0.75 0.69697
4 EQ3 0.720588 0.806452
5 BCR 0.532258 0.678571
6 RET 0.455882 0.714286
7 AZE 0.447761 0.642857
8 REA 0.410959 0.677419
9 9CR 0.410959 0.677419
10 QVM 0.410959 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: 45D; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XB4; Ligand: 45D; 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: 4xb4.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XB4; Ligand: 45D; 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: 4xb4.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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