› 5dc4

X-ray diffraction
1.48Å resolution

CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL A

Released:
DOI: 10.2210/pdb5dc4/pdb
PDB entry 5dc4 coloured by chain, front view.
PDB entry 5dc4 coloured by chain, side view.
PDB entry 5dc4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface.
Wojcik J, Lamontanara AJ, Grabe G, Koide A, Akin L, Gerig B, Hantschel O, Koide S
J Biol Chem 291 8836-47 (2016)
PMID: 26912659

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 analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132603 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Tyrosine-protein kinase ABL1 Chain: A
Molecule details ›
Chain: A
Length: 123 amino acids
Theoretical weight: 13.72 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00519 (Residues: 112-232; Coverage: 11%)
Gene names: ABL, ABL1, JTK7
Sequence domains: SH2 domain
Structure domains: SH2 domain
Ugl-Y3 Chain: B
Molecule details ›
Chain: B
Length: 95 amino acids
Theoretical weight: 10.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P02751 (Residues: 1536-1631; Coverage: 4%)
Gene names: FN, FN1
Sequence domains: Fibronectin type III domain
Structure domains: Immunoglobulins

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P212121
Unit cell:
a: 61.281Å b: 74.928Å c: 39.229Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.147 0.144 0.19
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Inhibitors of protein-protein interactions (PPIs): an analysis of scaffold choices and buried surface area.
Ran et al. (2018)
8 more

1 mention without citation

Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface.
Wojcik et al. (2016)