Receptor
PDB id Resolution Class Description Source Keywords
6MCJ 1.71 Å NON-ENZYME: BINDING STRUCTURE OF HELICAL CAROTENOID PROTEIN 2 FROM FREMYELLA DIP TOLYPOTHRIX SP. PCC 7601 PHOTOPROTECTION CAROTENOID BINDING PROTEIN PROTEIN BINDING
Ref.: STRUCTURAL AND SPECTROSCOPIC CHARACTERIZATION OF HC BIOCHIM BIOPHYS ACTA V.1860 414 2019 BIOENERG
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IOD A:203;
B:205;
B:202;
A:205;
A:204;
B:204;
A:202;
B:203;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
126.904 I [I-]
1PE A:206;
 Invalid;
 none;
 submit data
238.278 C10 H22 O6 C(COC...
45D B:201;
A: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
6MCJ 1.71 Å NON-ENZYME: BINDING STRUCTURE OF HELICAL CAROTENOID PROTEIN 2 FROM FREMYELLA DIP TOLYPOTHRIX SP. PCC 7601 PHOTOPROTECTION CAROTENOID BINDING PROTEIN PROTEIN BINDING
Ref.: STRUCTURAL AND SPECTROSCOPIC CHARACTERIZATION OF HC BIOCHIM BIOPHYS ACTA V.1860 414 2019 BIOENERG
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6MCJ - 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 6MCJ - 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 6MCJ - 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 : 6MCJ; 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: 6mcj.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6MCJ; 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: 6mcj.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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