Receptor
PDB id Resolution Class Description Source Keywords
3A7K 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HALORHODOPSIN FROM NATRONOMONAS PHARAONIS NATRONOMONAS PHARAONIS DSM 2160 LIGHT-DRIVEN CHLORIDE ION PUMP TRIMERIC BACTERIORUBERIN- PROTEIN COMPLEX RETINAL PROTEIN MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE LIGHT-DRIVEN CHLORIDE PUMP HALORHODOPSIN FROM NATRONOMONAS PHARAONIS. J.MOL.BIOL. V. 396 564 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
22B A:300;
B:300;
D:300;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
741.136 C50 H76 O4 CC(=C...
CL A:401;
A:402;
B:401;
B:402;
D:401;
D:402;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
L1P A:293;
B:293;
B:294;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
733.137 C43 H89 O6 P CC(C)...
L2P A:294;
A:295;
B:295;
B:296;
D:293;
D:294;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
653.157 C43 H88 O3 CC(C)...
L3P A:296;
A:297;
A:298;
A:299;
A:301;
A:331;
A:333;
B:331;
D:330;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
885.179 C46 H94 O11 P2 CC(C)...
RET A:292;
B:292;
D:292;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
284.436 C20 H28 O CC1=C...
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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