MolNFT v1 · #18966 · protein

Crystal structure of bacteriorhodopsin mutant P186A crystallized from bicelles

1Q5I: “Crystal structure of bacteriorhodopsin mutant P186A crystallized from bicelles”. X-ray diffraction, 1 ligand (RET), 4 pockets (best druggability 0.79). MolNFT v1 #18966 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1Q5I
Type: protein
Length: 454 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacteriorhodopsin
UniProt: P02945
Ligands: RET
Pockets: 4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bacteriorhodopsin	protein	227	77% helix, 5% strand	P02945

Ligands and binding sites

RET · Retinal · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	126	0.79	0.97	23	RET
2	120	0.79	0.97	22	RET
3	476	0.67	0.78	38	empty
4	179	0.50	0.76	26	empty

Interfaces

1 interface between chains.

A–B · 741 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (retinal Schiff base).

Compared structures

1Q5I · Crystal structure of bacteriorhodopsin mutant P186A crystallized from bicelles · the same entry in another collection · chain A against A, TM-score 1.00
P02945 · AlphaFold monomer V2.0 prediction for bacteriorhodopsin (P02945) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P02945
Elsewhere: RCSB PDB 1Q5I · PDBe 1Q5I · UniProt P02945

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