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MolNFT v1 · #149787 · protein

Bacteriorhodopsin, 740 fs state, real-space refined against 15% extrapolated structure factors

6GAI: “Bacteriorhodopsin, 740 fs state, real-space refined against 15% extrapolated structure factors”. X-ray diffraction, 7 ligands (L2P, RET, TRD), 2 pockets (best druggability 0.81). MolNFT v1 #149787 on GenesisL1: 3D structure, binding…

PDB
6GAI
Type
protein
Length
231 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriorhodopsin
UniProt
P02945
Ligands
L2P, RET, TRD, D10, HP6, MYS, C14
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriorhodopsinprotein23174% helix, 5% strandP02945

Ligands and binding sites

  • L2P · 2,3-di-phytanyl-glycerol · ligand · 3 copies · chains A
  • RET · Retinal · ligand · chains A
  • TRD · Tridecane · ligand · chains A
  • D10 · Decane · ligand · chains A
  • HP6 · Heptane · ligand · chains A
  • MYS · Pentadecane · ligand · chains A
  • C14 · Tetradecane · ligand · chains A
  • OCT · N-octane · additive · 3 copies · chains A
  • UND · Undecane · additive · 2 copies · chains A
  • DD9 · nonane · additive · 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
11320.810.9822RET
2510.300.7613empty

Modifications

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

Compared structures

  • 6GAI · Bacteriorhodopsin, 740 fs state, real-space refined against 15% extrapolated structure… · 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 1.00

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