› 5a3u

X-ray diffraction
3.3Å resolution

HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid

Released:
DOI: 10.2210/pdb5a3u/pdb
PDB entry 5a3u coloured by chain, front view.
PDB entry 5a3u coloured by chain, side view.
PDB entry 5a3u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Chan MC, Atasoylu O, Hodson E, Tumber A, Leung IK, Chowdhury R, Gómez-Pérez V, Demetriades M, Rydzik AM, Holt-Martyn J, Tian YM, Bishop T, Claridge TD, Kawamura A, Pugh CW, Ratcliffe PJ, Schofield CJ
PLoS One 10 e0132004 (2015)
PMID: 26147748

Function and Biology Details

Reaction catalysed: 
Hypoxia-inducible factor-L-proline + 2-oxoglutarate + O(2) = hypoxia-inducible factor-trans-4-hydroxy-L-proline + succinate + CO(2)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190452 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Egl nine homolog 1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 252 amino acids
Theoretical weight: 28.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9GZT9 (Residues: 181-426; Coverage: 58%)
Gene names: C1orf12, EGLN1, PNAS-118, PNAS-137
Sequence domains: 2OG-Fe(II) oxygenase superfamily
Structure domains: q2cbj1_9rhob like domain

Ligands and Environments

2 bound ligands:
Ligand MN 3 x MN
Ligand R8J 3 x R8J
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P3212
Unit cell:
a: 154.939Å b: 154.939Å c: 85.401Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.192 0.202 0.227
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

2-Oxoglutarate-Dependent Oxygenases.
Islam et al. (2018)
6 more

5 mentions without citation

Targeting Protein-Protein Interactions in the HIF System.
Wilkins et al. (2016)
4 more