Receptor
PDB id Resolution Class Description Source Keywords
5B0W 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 11-CIS ISOMER OF PHARAONIS HALORHOD THE ABSENCE OF HALIDE IONS NATRONOMONAS PHARAONIS DSM 2160 SEVEN TRANS-MEMBRANE HELICES RETINYLIDENE PROTEIN LIGHT-DRCHLORIDE ION PUMP MICROBIAL RHODOPSIN MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE 11-CIS ISOMER OF PHARAONIS HALORHODOPSIN: STRUCTURAL CONSTRAINTS ON INTERCONVE AMONG DIFFERENT ISOMERIC STATES BIOCHEMISTRY V. 55 4092 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L3P A:304;
F:302;
F:303;
B:302;
G:302;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
885.179 C46 H94 O11 P2 CC(C)...
BNG A:305;
A:306;
B:303;
F:304;
A:307;
G:303;
G:304;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
306.395 C15 H30 O6 CCCCC...
RET A:301;
E:302;
D:301;
G:301;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
284.436 C20 H28 O CC1=C...
22B A:302;
Valid;
Atoms found LESS than expected: % Diff = 0.315;
submit data
741.136 C50 H76 O4 CC(=C...
RET RET B:301;
Invalid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B0W 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 11-CIS ISOMER OF PHARAONIS HALORHOD THE ABSENCE OF HALIDE IONS NATRONOMONAS PHARAONIS DSM 2160 SEVEN TRANS-MEMBRANE HELICES RETINYLIDENE PROTEIN LIGHT-DRCHLORIDE ION PUMP MICROBIAL RHODOPSIN MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE 11-CIS ISOMER OF PHARAONIS HALORHODOPSIN: STRUCTURAL CONSTRAINTS ON INTERCONVE AMONG DIFFERENT ISOMERIC STATES BIOCHEMISTRY V. 55 4092 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5ETZ - 22B C50 H76 O4 CC(=C/C=C/....
2 5B0W - 22B C50 H76 O4 CC(=C/C=C/....
3 3A7K - 22B C50 H76 O4 CC(=C/C=C/....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5ETZ - 22B C50 H76 O4 CC(=C/C=C/....
2 5B0W - 22B C50 H76 O4 CC(=C/C=C/....
3 3A7K - 22B C50 H76 O4 CC(=C/C=C/....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5ETZ - 22B C50 H76 O4 CC(=C/C=C/....
2 5B0W - 22B C50 H76 O4 CC(=C/C=C/....
3 3A7K - 22B C50 H76 O4 CC(=C/C=C/....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 22B; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 22B 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 22B; 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 : 5B0W; Ligand: 22B; 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: 5b0w.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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