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MolNFT v1 · #114494 · protein

Structure of bacteriorhodopsin crystallized from nd-MSP1E3D1

5BR5: “Structure of bacteriorhodopsin crystallized from nd-MSP1E3D1”. X-ray diffraction, 1 ligand (RET), 2 pockets (best druggability 0.81). MolNFT v1 #114494 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5BR5
Type
protein
Length
222 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriorhodopsin
UniProt
P02945
Ligands
RET
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriorhodopsinprotein22276% helix, 4% strandP02945

Ligands and binding sites

  • 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
11250.810.9824RET
2520.290.7515empty

Modifications

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

Compared structures

  • 5BR5 · Structure of bacteriorhodopsin crystallized from ND-MSP1E3D1 · 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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