› 6l14

X-ray diffraction
1.95Å resolution

Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives

Released:
DOI: 10.2210/pdb6l14/pdb
PDB entry 6l14 coloured by chain, front view.
PDB entry 6l14 coloured by chain, side view.
PDB entry 6l14 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
Li G, Zhang W, Xie Y, Li Y, Cao R, Zheng G, Huang N, Zhou Y
J Chem Inf Model 60 3287-3294 (2020)
PMID: 32407627

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: 289 amino acids
Theoretical weight: 33.29 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

Ligands and Environments

1 bound ligand:
Ligand E2L 1 x E2L
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P65
Unit cell:
a: 98.425Å b: 98.425Å c: 80.99Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.192 0.209
Expression system: Escherichia coli

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Citations

3 citation in other articles

Identification of multiple substrate binding sites in SLC4 transporters in the outward-facing conformation: Insights into the transport mechanism.
Zhekova et al. (2021)
2 more