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Crystal structure of dtg rhodopsin from pseudomonas putida

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

PDB
7W74
Type
protein
Length
452 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriorhodopsin-like protein
UniProt
A0A370SAH7
Ligands
RET, OLB
Pockets
3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBacteriorhodopsin-like proteinprotein22677% helix, 3% strandA0A370SAH7

Ligands and binding sites

  • RET · Retinal · ligand · 2 copies · chains A, B
  • OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · 2 copies · chains A, B
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 5 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11360.800.9623RET
21430.790.9626RET
32270.560.7828empty

Interfaces

1 interface between chains.

  • A–B · 284 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7W74 · Crystal structure of DTG rhodopsin from Pseudomonas putida · the same entry in another collection · chain A against A, TM-score 1.00

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