› 4ie1

X-ray diffraction
2Å resolution

Crystal structure of human Arginase-1 complexed with inhibitor 1h

Released:
DOI: 10.2210/pdb4ie1/pdb
PDB entry 4ie1 coloured by chain, front view.
PDB entry 4ie1 coloured by chain, side view.
PDB entry 4ie1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Golebiowski A, Paul Beckett R, Van Zandt M, Ji MK, Whitehouse D, Ryder TR, Jagdmann E, Andreoli M, Mazur A, Padmanilayam M, Cousido-Siah A, Mitschler A, Ruiz FX, Podjarny A, Schroeter H
Bioorg Med Chem Lett 23 2027-30 (2013)
PMID: 23453840

Function and Biology Details

Reaction catalysed: 
L-arginine + H(2)O = L-ornithine + urea
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138411 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Arginase-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 314 amino acids
Theoretical weight: 33.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05089 (Residues: 5-318; Coverage: 98%)
Gene name: ARG1
Sequence domains: Arginase family
Structure domains: Ureohydrolase domain

Ligands and Environments

2 bound ligands:
Ligand 1EC 2 x 1EC
Ligand MN 4 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P3
Unit cell:
a: 90.074Å b: 90.074Å c: 69.272Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.108 0.106 0.127
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Arginase Inhibitors: A Rational Approach Over One Century.
Pudlo et al. (2017)
3 more

1 mention without citation

Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies.
Velázquez-Libera et al. (2018)