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MolNFT v1 · #59825 · protein

Structure of ground-state bovine rhodospin in a hexagonal crystal form

3C9L · Rhodopsin: “Structure of ground-state bovine rhodospin in a hexagonal crystal form”. X-ray diffraction, 7 ligands (PLM, ACE, RET), 3 pockets (best druggability 0.82). MolNFT v1 #59825 on GenesisL1: 3D structure, binding sites and…

PDB
3C9L
Type
protein
Length
328 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhodopsin
UniProt
P02699
Ligands
PLM, ACE, RET, PEF, NAG, BMA, ZN
Pockets
3 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARhodopsinprotein32869% helix, 4% strandP02699

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 2 copies · chains A
  • ACE · Acetyl group · ligand · chains A
  • RET · Retinal · ligand · chains A
  • PEF · Di-palmitoyl-3-sn-phosphatidylethanolamine · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 2 copies
  • ZN · Zinc ion · metal · chains A
  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 6 copies · chains A
  • LDA · Lauryl dimethylamine-N-oxide · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.820.9830RET
21740.550.8029C8E
3730.330.7515empty

Modifications

Observed in the structure: 2 glycan, 2 lipid, 1 cofactor, 1 covalent, 1 disulfide (N-glycosylation, palmitoylation, retinal Schiff base, covalent ligand, disulfide).

Compared structures

  • 3C9L · Structure of ground-state bovine rhodospin in a hexagonal crystal form · the same entry in another collection · chain A against A, TM-score 1.00
  • P02699 · AlphaFold monomer V2.0 prediction for rhodopsin (P02699) · a predicted model of the same protein · chain A against A, TM-score 0.91

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