› 4rpv

X-ray diffraction
3.05Å resolution

co-crystal structure of Pim1 with compound 3

Released:
DOI: 10.2210/pdb4rpv/pdb
PDB entry 4rpv coloured by chain, front view.
PDB entry 4rpv coloured by chain, side view.
PDB entry 4rpv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Wang HL, Cee VJ, Chavez F, Lanman BA, Reed AB, Wu B, Guerrero N, Lipford JR, Sastri C, Winston J, Andrews KL, Huang X, Lee MR, Mohr C, Xu Y, Zhou Y, Tasker AS
Bioorg Med Chem Lett 25 834-40 (2015)
PMID: 25597005

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: 410 amino acids
Theoretical weight: 46.31 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P11309 (Residues: 1-313; Coverage: 100%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 3UR 1 x 3UR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P65
Unit cell:
a: 100.091Å b: 100.091Å c: 81.205Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.229 0.229 0.273
Expression system: Spodoptera frugiperda

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Citations

3 review citations

Recent Advances in the Development of Indazole-based Anticancer Agents.
Dong et al. (2018)
2 more

1 mention without citation

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