› 1skj

X-ray diffraction
2Å resolution

COCRYSTAL STRUCTURE OF UREA-SUBSTITUTED PHOSPHOPEPTIDE COMPLEX

Released:
DOI: 10.2210/pdb1skj/pdb
PDB entry 1skj coloured by chain, front view.
PDB entry 1skj coloured by chain, side view.
PDB entry 1skj coloured by chain, top view.
Source organism: Rous sarcoma virus
Primary publication:
Design, synthesis, and cocrystal structure of a nonpeptide Src SH2 domain ligand.
Plummer MS, Holland DR, Shahripour A, Lunney EA, Fergus JH, Marks JS, McConnell P, Mueller WT, Sawyer TK
J Med Chem 40 3719-25 (1997)
PMID: 9371236

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132659 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase transforming protein Src Chain: A
Molecule details ›
Chain: A
Length: 113 amino acids
Theoretical weight: 12.91 KDa
Source organism: Rous sarcoma virus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00524 (Residues: 144-249, 250-252; Coverage: 21%)
Gene name: V-SRC
Sequence domains: SH2 domain
Structure domains: SH2 domain

Ligands and Environments

1 bound ligand:
Ligand UR2 1 x UR2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P61
Unit cell:
a: 74.4Å b: 74.4Å c: 38.8Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.2 0.275
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Src homology-2 domains: structure, mechanisms, and drug discovery.
Sawyer TK. (1998)
4 more

4 mentions without citation

DINC 2.0: A New Protein-Peptide Docking Webserver Using an Incremental Approach.
Antunes et al. (2017)
3 more