› 3u51

X-ray diffraction
2.24Å resolution

Src in complex with DNA-templated macrocyclic inhibitor MC1

Released:
DOI: 10.2210/pdb3u51/pdb
PDB entry 3u51 coloured by chain, front view.
PDB entry 3u51 coloured by chain, side view.
PDB entry 3u51 coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Georghiou G, Kleiner RE, Pulkoski-Gross M, Liu DR, Seeliger MA
Nat Chem Biol 8 366-74 (2012)
PMID: 22344177

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132640 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Proto-oncogene tyrosine-protein kinase Src Chains: A, B
Molecule details ›
Chains: A, B
Length: 275 amino acids
Theoretical weight: 31.56 KDa
Source organism: Gallus gallus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00523 (Residues: 259-533; Coverage: 52%)
Gene name: SRC
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:
macrocyclic inhibitor MC1 Chains: C, D
Molecule details ›
Chains: C, D
Length: 6 amino acids
Theoretical weight: 761 Da
Source organism: Gallus gallus
Expression system: Not provided

Ligands and Environments

No bound ligands
2 modified residues:
Ligand ALC 2 x ALC
Ligand DAB 2 x DAB

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 42.166Å b: 117.25Å c: 62.762Å
α: 90° β: 90.08° γ: 90°
R-values:
R R work R free
0.2 0.199 0.236
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

9 review citations

Targeting protein-protein interaction by small molecules.
Jin et al. (2014)
8 more