› 4z69

X-ray diffraction
2.19Å resolution

Human serum albumin complexed with palmitic acid and diclofenac

Released:
DOI: 10.2210/pdb4z69/pdb
PDB entry 4z69 coloured by chain, front view.
PDB entry 4z69 coloured by chain, side view.
PDB entry 4z69 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of non-steroidal anti-inflammatory drug diclofenac binding to human serum albumin.
Zhang Y, Lee P, Liang S, Zhou Z, Wu X, Yang F, Liang H
Chem Biol Drug Des 86 1178-84 (2015)
PMID: 25958880

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136176 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Albumin Chains: A, I
Molecule details ›
Chains: A, I
Length: 585 amino acids
Theoretical weight: 66.57 KDa
Source organism: Homo sapiens
Expression system: Pichia kudriavzevii
UniProt:
  • Canonical: P02768 (Residues: 25-609; Coverage: 99%)
Gene names: ALB, GIG20, GIG42, PRO0903, PRO1708, PRO2044, PRO2619, PRO2675, UNQ696/PRO1341
Sequence domains: Serum albumin family
Structure domains: Serum Albumin; Chain A, Domain 1

Ligands and Environments

3 bound ligands:
Ligand F15 6 x F15
Ligand PLM 4 x PLM
Ligand DIF 4 x DIF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P1
Unit cell:
a: 38.396Å b: 95.003Å c: 96.339Å
α: 105° β: 101.45° γ: 89.97°
R-values:
R R work R free
0.229 0.225 0.293
Expression system: Pichia kudriavzevii

Quick links

Citations

15 citation in other articles

Integrated Assessment of Diclofenac Biotransformation, Pharmacokinetics, and Omics-Based Toxicity in a Three-Dimensional Human Liver-Immunocompetent Coculture System.
Sarkar et al. (2017)
14 more

14 mentions without citation

Pharmaceutical strategies for preventing toxicity and promoting antioxidant and anti-inflammatory actions of bilirubin.
Nocentini et al. (2022)
13 more