› 6g54

X-ray diffraction
2.05Å resolution

Crystal structure of ERK2 covalently bound to SM1-71

Released:
DOI: 10.2210/pdb6g54/pdb
PDB entry 6g54 coloured by chain, front view.
PDB entry 6g54 coloured by chain, side view.
PDB entry 6g54 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Rao S, Gurbani D, Du G, Everley RA, Browne CM, Chaikuad A, Tan L, Schröder M, Gondi S, Ficarro SB, Sim T, Kim ND, Berberich MJ, Knapp S, Marto JA, Westover KD, Sorger PK, Gray NS
Cell Chem Biol 26 818-829.e9 (2019)
PMID: 30982749

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-151230 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 361 amino acids
Theoretical weight: 41.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P28482 (Residues: 1-360; Coverage: 100%)
Gene names: ERK2, MAPK1, PRKM1, PRKM2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand SO4 2 x SO4
Ligand 6H3 1 x 6H3
Ligand EDO 13 x EDO
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P3221
Unit cell:
a: 91.751Å b: 91.751Å c: 99.305Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.185 0.183 0.221
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

COVID-19: Drug Targets and Potential Treatments.
Gil et al. (2020)
4 more

25 mentions without citation

Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Rao et al. (2019)
24 more