› 4lm5

X-ray diffraction
2.25Å resolution

Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002)

Released:
DOI: 10.2210/pdb4lm5/pdb
PDB entry 4lm5 coloured by chain, front view.
PDB entry 4lm5 coloured by chain, side view.
PDB entry 4lm5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Parker LJ, Taruya S, Tsuganezawa K, Ogawa N, Mikuni J, Honda K, Tomabechi Y, Handa N, Shirouzu M, Yokoyama S, Tanaka A
Acta Crystallogr D Biol Crystallogr 70 392-404 (2014)
PMID: 24531473

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)
Assembly name:
PDBe Complex ID:
PDB-CPX-145753 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 34.2 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

2 bound ligands:
Ligand Q17 1 x Q17
Ligand GOL 3 x GOL
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P65
Unit cell:
a: 97.677Å b: 97.677Å c: 80.781Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.158 0.156 0.198
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Expression of myeloid Src-family kinases is associated with poor prognosis in AML and influences Flt3-ITD kinase inhibitor acquired resistance.
Patel et al. (2019)
4 more

1 mention without citation

Chemical space exploration based on recurrent neural networks: applications in discovering kinase inhibitors.
Li et al. (2020)