› 3k2m

X-ray diffraction
1.75Å resolution

Crystal Structure of Monobody HA4/Abl1 SH2 Domain Complex

Released:
DOI: 10.2210/pdb3k2m/pdb
PDB entry 3k2m coloured by chain, front view.
PDB entry 3k2m coloured by chain, side view.
PDB entry 3k2m coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A potent and highly specific FN3 monobody inhibitor of the Abl SH2 domain.
Wojcik J, Hantschel O, Grebien F, Kaupe I, Bennett KL, Barkinge J, Jones RB, Koide A, Superti-Furga G, Koide S
Nat Struct Mol Biol 17 519-27 (2010)
PMID: 20357770

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-132611 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Tyrosine-protein kinase ABL1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 112 amino acids
Theoretical weight: 12.58 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00519 (Residues: 121-232; Coverage: 10%)
Gene names: ABL, ABL1, JTK7
Sequence domains: SH2 domain
Structure domains: SH2 domain
Monobody HA4 Chains: C, D
Molecule details ›
Chains: C, D
Length: 101 amino acids
Theoretical weight: 10.83 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 33.625Å b: 88.181Å c: 131.081Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.18 0.221
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

Adnectins: engineered target-binding protein therapeutics.
Lipovsek D. (2011)
14 more

19 mentions without citation

Structural insights for engineering binding proteins based on non-antibody scaffolds.
Gilbreth et al. (2012)
18 more