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MolNFT v1 · #172990 · protein

Crystal structure of the viral rhodopsin OLPVR1 in P1 space group

7AKX: “Crystal structure of the viral rhodopsin OLPVR1 in P1 space group”. X-ray diffraction, 2 ligands (LFA, OLA), 2 pockets (best druggability 0.81). MolNFT v1 #172990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7AKX
Type
protein
Length
448 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Viral rhodopsin OLPVR1
UniProt
F2Y337
Ligands
LFA, OLA
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 84% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BViral rhodopsin OLPVR1protein22484% helix, 0% strandF2Y337

Ligands and binding sites

  • LFA · Eicosane · ligand · 26 copies · chains A, B
  • OLA · Oleic acid · ligand · 4 copies · chains A, B
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111830.810.8274LFA, OLA
2850.570.8616OLA

Interfaces

1 interface between chains.

  • A–B · 485 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 7AKX · Crystal structure of the viral rhodopsin OLPVR1 in P1 space group · the same entry in another collection · chain A against A, TM-score 1.00

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