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› 7k89

X-ray diffraction
2.15Å resolution

Crystal structure of bovine RPE65 in complex with 4-fluoro-emixustat and palmitate

Released:
DOI: 10.2210/pdb7k89/pdb
Model geometry
Fit model/data
PDB entry 7k89 coloured by chain, front view.
PDB entry 7k89 coloured by chain, side view.
PDB entry 7k89 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
Blum E, Zhang J, Zaluski J, Einstein DE, Korshin EE, Kubas A, Gruzman A, Tochtrop GP, Kiser PD, Palczewski K
J Med Chem 64 8287-8302 (2021)
PMID: 34081480

Function and Biology Details

Reactions catalysed: 
an all-trans-retinyl ester + H2O = 11-cis-retinol + a fatty acid + H(+).
lutein = (3R,3'S)-zeaxanthin.
Biochemical function:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173309 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Retinoid isomerohydrolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 533 amino acids
Theoretical weight: 60.94 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: Q28175 (Residues: 2-533; Coverage: 100%)
Gene name: RPE65
Sequence domains: Retinal pigment epithelial membrane protein

Ligands and Environments

5 bound ligands:
Ligand FE2 2 x FE2
Ligand PLM 2 x PLM
Ligand PG4 2 x PG4
Ligand NA 2 x NA
Ligand W4J 2 x W4J
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P65
Unit cell:
a: 175.695Å b: 175.695Å c: 86.214Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.189 0.217

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Citations

7 review citations

Oral GS-441524 derivatives: Next-generation inhibitors of SARS-CoV-2 RNA-dependent RNA polymerase.
Wang et al. (2022)
6 more

1 mention without citation

Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
Blum et al. (2021)