› 7jwn

X-ray diffraction
2.6Å resolution

Crystal structure of Human Serum Albumin in complex with ketoprofen

Released:
DOI: 10.2210/pdb7jwn/pdb
PDB entry 7jwn coloured by chain, front view.
PDB entry 7jwn coloured by chain, side view.
PDB entry 7jwn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Organism-specific differences in the binding of ketoprofen to serum albumin.
Czub MP, Stewart AJ, Shabalin IG, Minor W
IUCrJ 9 551-561 (2022)
PMID: 36071810

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 Chain: A
Molecule details ›
Chain: A
Length: 584 amino acids
Theoretical weight: 66.46 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P02768 (Residues: 26-609; Coverage: 99%)
Gene names: ALB, GIG20, GIG42, PRO0903, PRO1708, PRO2044, PRO2619, PRO2675, UNQ696/PRO1341
Sequence domains: Serum albumin family

Ligands and Environments

5 bound ligands:
Ligand CYS 1 x CYS
Ligand MYR 3 x MYR
Ligand 9KL 3 x 9KL
Ligand EDO 1 x EDO
Ligand JGE 1 x JGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 170.499Å b: 38.878Å c: 98.501Å
α: 90° β: 104.47° γ: 90°
R-values:
R R work R free
0.186 0.183 0.231
Expression system: Komagataella pastoris

Quick links

Citations

1 review citation

The current role and evolution of X-ray crystallography in drug discovery and development.
Bijak et al. (2023)
1 other article

2 mentions without citation

Organism-specific differences in the binding of ketoprofen to serum albumin.
Czub et al. (2022)
1 more