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MolNFT v1 · #113938 · protein

Crystal structure of the cell-free synthesized membrane protein, acetabularia rhodopsin I, at 1.52 ångström

5AX0: “Crystal structure of the cell-free synthesized membrane protein, acetabularia rhodopsin I, at 1.52 ångström”. X-ray diffraction, 6 ligands (OLB, D12, D10), 2 pockets (best druggability 0.80). MolNFT v1 #113938 on GenesisL1: 3D…

PDB
5AX0
Type
protein
Length
234 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhodopsin I
UniProt
G3CEP6
Ligands
OLB, D12, D10, RET, C14, R16
Pockets
2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARhodopsin Iprotein23480% helix, 3% strandG3CEP6

Ligands and binding sites

  • OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · 3 copies · chains A
  • D12 · Dodecane · ligand · 2 copies · chains A
  • D10 · Decane · ligand · 2 copies · chains A
  • RET · Retinal · ligand · chains A
  • C14 · Tetradecane · ligand · chains A
  • R16 · Hexadecane · 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
11320.800.9721RET
2710.390.7814empty

Modifications

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

Compared structures

  • 5AX0 · Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin… · the same entry in another collection · chain A against A, TM-score 1.00

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