› 2bxm

X-ray diffraction
2.5Å resolution

Human serum albumin complexed with myristate and indomethacin

Released:
DOI: 10.2210/pdb2bxm/pdb
PDB entry 2bxm coloured by chain, front view.
PDB entry 2bxm coloured by chain, side view.
PDB entry 2bxm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of the drug-binding specificity of human serum albumin.
Ghuman J, Zunszain PA, Petitpas I, Bhattacharya AA, Otagiri M, Curry S
J Mol Biol 353 38-52 (2005)
PMID: 16169013

Function and Biology Details

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

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: 585 amino acids
Theoretical weight: 66.57 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
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

2 bound ligands:
Ligand MYR 7 x MYR
Ligand IMN 2 x IMN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: C2
Unit cell:
a: 188.141Å b: 38.821Å c: 96.052Å
α: 90° β: 105.18° γ: 90°
R-values:
R R work R free
0.201 0.201 0.247
Expression system: Komagataella pastoris

Quick links

Citations

89 review citations

The Halogen Bond.
Cavallo et al. (2016)
88 more

9 mentions without citation

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