› 6mc1

X-ray diffraction
2.7Å resolution

Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor

Released:
DOI: 10.2210/pdb6mc1/pdb
PDB entry 6mc1 coloured by chain, front view.
PDB entry 6mc1 coloured by chain, side view.
PDB entry 6mc1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Gannam ZTK, Min K, Shillingford SR, Zhang L, Herrington J, Abriola L, Gareiss PC, Pantouris G, Tzouvelekis A, Kaminski N, Zhang X, Yu J, Jamali H, Ellman JA, Lolis E, Anderson KS, Bennett AM
Sci Signal 13 (2020)
PMID: 32843541

Function and Biology Details

Reactions catalysed: 
[a protein]-serine/threonine phosphate + H(2)O = [a protein]-serine/threonine + phosphate
Protein tyrosine phosphate + H(2)O = protein tyrosine + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195391 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity protein phosphatase 10 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 152 amino acids
Theoretical weight: 17.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y6W6 (Residues: 320-467; Coverage: 31%)
Gene names: DUSP10, MKP5
Sequence domains: Dual specificity phosphatase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand CJA 6 x CJA
Ligand DTT 5 x DTT
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P21
Unit cell:
a: 66.11Å b: 129.39Å c: 83.31Å
α: 90° β: 91.81° γ: 90°
R-values:
R R work R free
0.19 0.188 0.227
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Functional interrogation and therapeutic targeting of protein tyrosine phosphatases.
Krabill et al. (2021)
1 more

2 mentions without citation

Mitogen-Activated Protein Kinase Phosphatases: No Longer Undruggable?
Shillingford et al. (2023)
1 more