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MolNFT v1 · #141772 · protein

Crystal structure of bacteriorhodopsin at 1.29 a resolution

5ZIL: “Crystal structure of bacteriorhodopsin at 1.29 a resolution”. X-ray diffraction, 2 ligands (L2P, RET), 2 pockets (best druggability 0.80). MolNFT v1 #141772 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ZIL
Type
protein
Length
229 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriorhodopsin
UniProt
P02945
Ligands
L2P, RET
Pockets
2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriorhodopsinprotein22975% helix, 5% strandP02945

Ligands and binding sites

  • L2P · 2,3-di-phytanyl-glycerol · ligand · 4 copies · chains A
  • RET · Retinal · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11080.800.9920RET
2500.290.7616empty

Modifications

Observed in the structure: 1 cofactor (retinal Schiff base).

Compared structures

  • 5ZIL · Crystal structure of bacteriorhodopsin at 1.29 A resolution · 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

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