› 3jya

X-ray diffraction
2.1Å resolution

Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors

Released:
DOI: 10.2210/pdb3jya/pdb
PDB 3jya coloured by chain and viewed from the front.
PDB 3jya coloured by chain and viewed from the side.
PDB 3jya coloured by chain and viewed from the top.
Source organism: Homo sapiens
Entry author: Stoll VS

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 294 amino acids
Theoretical weight: 33.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 29-313; Coverage: 91%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand LWG 1 x LWG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P65
Unit cell:
a: 96.764Å b: 96.764Å c: 80.794Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.234 0.233 0.257
Expression system: Escherichia coli

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