› 2bxh

X-ray diffraction
2.25Å resolution

Human serum albumin complexed with indoxyl sulfate

Released:
DOI: 10.2210/pdb2bxh/pdb
PDB entry 2bxh coloured by chain, front view.
PDB entry 2bxh coloured by chain, side view.
PDB entry 2bxh 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 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, B
Molecule details ›
Chains: A, B
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

1 bound ligand:
Ligand IOS 4 x IOS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: P1
Unit cell:
a: 54.71Å b: 55.2Å c: 119.88Å
α: 81.27° β: 91.09° γ: 65.29°
R-values:
R R work R free
0.227 0.227 0.266
Expression system: Komagataella pastoris

Quick links

Citations

89 review citations

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

9 mentions without citation

Modeling kinetics of subcellular disposition of chemicals.
Balaz S. (2009)
8 more