› 4mta

X-ray diffraction
2.2Å resolution

Crystal structure of Pim-1 kinase domain in complex with 2-methyl-5-phenylfuran-3-carboxylic acid

Released:
DOI: 10.2210/pdb4mta/pdb
PDB entry 4mta coloured by chain, front view.
PDB entry 4mta coloured by chain, side view.
PDB entry 4mta coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Large scale meta-analysis of fragment-based screening campaigns: privileged fragments and complementary technologies.
Kutchukian PS, Wassermann AM, Lindvall MK, Wright SK, Ottl J, Jacob J, Scheufler C, Marzinzik A, Brooijmans N, Glick M
J Biomol Screen 20 588-96 (2015)
PMID: 25550355

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: 286 amino acids
Theoretical weight: 32.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 28-313; Coverage: 91%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 2D2 1 x 2D2
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P65
Unit cell:
a: 95.79Å b: 95.79Å c: 79.76Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.16 0.158 0.192
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Twenty years on: the impact of fragments on drug discovery.
Erlanson et al. (2016)
2 more