› 7ops

X-ray diffraction
2.38Å resolution

Crystal structure of haspin in complex with ZW282 (compound 2a)

Released:
DOI: 10.2210/pdb7ops/pdb
PDB entry 7ops coloured by chain, front view.
PDB entry 7ops coloured by chain, side view.
PDB entry 7ops coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity.
Zeinyeh W, Esvan YJ, Josselin B, Defois M, Baratte B, Knapp S, Chaikuad A, Anizon F, Giraud F, Ruchaud S, Moreau P
Eur J Med Chem 236 114369 (2022)
PMID: 35447555

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186268 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase haspin Chain: A
Molecule details ›
Chain: A
Length: 357 amino acids
Theoretical weight: 40.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8TF76 (Residues: 465-798; Coverage: 42%)
Gene names: GSG2, HASPIN
Sequence domains: Haspin like kinase domain

Ligands and Environments

2 bound ligands:
Ligand 07C 1 x 07C
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P212121
Unit cell:
a: 78.13Å b: 79.106Å c: 80.245Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.176 0.228
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 mention without citation

Synthesis and Kinase Inhibitory Potencies of Pyrazolo[3,4-g]isoquinolines.
Defois et al. (2022)