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Crystal structure of the viral rhodopsins chimera O1O2

Analyse Crystal structure of the viral rhodopsins chimera O1O2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AKW
Type
protein
Length
444 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chimera of viral rhodopsins OLPVR1 and olpvrii
UniProt
F2Y337
Ligands
LFA, RET
Pockets
8 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 85% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChimera of viral rhodopsins OLPVR1 and olpvriiprotein22384% helix, 0% strandF2Y337
BChimera of viral rhodopsins OLPVR1 and olpvriiprotein22186% helix, 0% strandF2Y337

Ligands and binding sites

  • LFA · Eicosane · ligand · 2 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11400.810.9714empty
28680.800.8249empty
31500.770.9425RET
41510.760.9325RET
51190.580.8419empty

Interfaces

1 interface between chains.

  • A–B · 616 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7AKW · Crystal structure of the viral rhodopsins chimera O1O2 · the same entry in another collection · chain A against A, TM-score 1.00

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