› 6zwp

X-ray diffraction
1.9Å resolution

p38a bound with SR348

Released:
DOI: 10.2210/pdb6zwp/pdb
PDB entry 6zwp coloured by chain, front view.
PDB entry 6zwp coloured by chain, side view.
PDB entry 6zwp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective targeting of the αC and DFG-out pocket in p38 MAPK.
Röhm S, Schröder M, Dwyer JE, Widdowson CS, Chaikuad A, Berger BT, Joerger AC, Krämer A, Harbig J, Dauch D, Kudolo M, Laufer S, Bagley MC, Knapp S
Eur J Med Chem 208 112721 (2020)
PMID: 33035818

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-172487 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 361 amino acids
Theoretical weight: 41.4 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16539 (Residues: 1-360; Coverage: 100%)
  • Best match: Q16539-4 (Residues: 1-254)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand OE8 1 x OE8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 64.991Å b: 74.138Å c: 75.793Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.213 0.251
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Evaluation of Substituted Pyrazole-Based Kinase Inhibitors in One Decade (2011-2020): Current Status and Future Prospects.
El-Gamal et al. (2022)
1 more

2 mentions without citation

Network Pharmacology and Molecular Docking-Based Mechanism Study to Reveal Antihypertensive Effect of Gedan Jiangya Decoction.
Liu et al. (2022)
1 more