› 3gp0

X-ray diffraction
1.9Å resolution

Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib

Released:
DOI: 10.2210/pdb3gp0/pdb
PDB entry 3gp0 coloured by chain, front view.
PDB entry 3gp0 coloured by chain, side view.
PDB entry 3gp0 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Filippakopoulos P, Barr A, Fedorov O, Keates T, Soundararajan M, Elkins J, Salah E, Burgess-Brown N, Ugochukwu E, Pike ACW, Muniz J, Roos A, Chaikuad A, von Delft F, Arrowsmith CH, Edwards AM, Weigelt J, Bountra C, Knapp S, Structural Genomics Consortium (SGC)

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-172391 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 11 Chain: A
Molecule details ›
Chain: A
Length: 348 amino acids
Theoretical weight: 39.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q15759 (Residues: 5-350; Coverage: 95%)
Gene names: MAPK11, PRKM11, SAPK2, SAPK2B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand NIL 1 x NIL
Ligand EDO 1 x EDO
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 38.94Å b: 60.08Å c: 148.55Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.178 0.232
Expression system: Escherichia coli

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