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Crystal structure of exiguobacterium sibiricum rhodopsin

Analyse Crystal structure of exiguobacterium sibiricum rhodopsin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HYJ
Type
protein
Length
460 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhodopsin
UniProt
B1YFV8
Ligands
LFA, RET
Pockets
6 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 86% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARhodopsinprotein23684% helix, 0% strandB1YFV8
BRhodopsinprotein22488% helix, 1% strandB1YFV8

Ligands and binding sites

  • LFA · Eicosane · ligand · 30 copies · chains A, B
  • RET · Retinal · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110450.840.8596LFA
21200.800.9726RET
31140.780.9725RET
41220.420.7623empty
5590.340.7614LFA

Interfaces

1 interface between chains.

  • A–B · 945 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 4HYJ · Crystal structure of Exiguobacterium sibiricum rhodopsin · the same entry in another collection · chain A against A, TM-score 1.00

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