› 8psw

X-ray diffraction
2Å resolution

ERK2 covalently bound to RU67 cyclohexenone based inhibitor

Released:
DOI: 10.2210/pdb8psw/pdb
Model geometry
Fit model/data
PDB entry 8psw coloured by chain, front view.
PDB entry 8psw coloured by chain, side view.
PDB entry 8psw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Póti ÁL, Bálint D, Alexa A, Sok P, Ozsváth K, Albert K, Turczel G, Magyari S, Ember O, Papp K, Király SB, Imre T, Németh K, Kurtán T, Gógl G, Varga S, Soós T, Reményi A
Nat Commun 15 8607 (2024)
PMID: 39366929

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:

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: 364 amino acids
Theoretical weight: 41.75 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

Ligands and Environments

2 bound ligands:
Ligand AN2 1 x AN2
Ligand D2I 1 x D2I
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 41.47Å b: 77.39Å c: 127.22Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.189 0.215
Expression system: Escherichia coli BL21(DE3)

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