› 5dgz

X-ray diffraction
2.5Å resolution

Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors

Released:
DOI: 10.2210/pdb5dgz/pdb
PDB entry 5dgz coloured by chain, front view.
PDB entry 5dgz coloured by chain, side view.
PDB entry 5dgz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Hu H, Wang X, Chan GK, Chang JH, Do S, Drummond J, Ebens A, Lee W, Ly J, Lyssikatos JP, Murray J, Moffat JG, Chao Q, Tsui V, Wallweber H, Kolesnikov A
Bioorg Med Chem Lett 25 5258-64 (2015)
PMID: 26459208

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: 299 amino acids
Theoretical weight: 34.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
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 L20 1 x L20
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P65
Unit cell:
a: 98.396Å b: 98.396Å c: 80.181Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.182 0.18 0.213
Expression system: Escherichia coli BL21

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Citations

4 review citations

Recent Advances in Indazole-Containing Derivatives: Synthesis and Biological Perspectives.
Zhang et al. (2018)
3 more

1 mention without citation

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