› 3hmi

X-ray diffraction
1.65Å resolution

The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE

Released:
DOI: 10.2210/pdb3hmi/pdb
PDB entry 3hmi coloured by chain, front view.
PDB entry 3hmi coloured by chain, side view.
PDB entry 3hmi coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Ugochukwu E, Salah E, Barr A, Mahajan P, Shrestha B, Savitsky P, Chaikuad A, Allerston C, von Delft F, Bountra C, Arrowsmith CH, Weigelt J, Edwards A, Knapp S, Structural Genomics Consortium (SGC)

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154850 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL2 Chain: A
Molecule details ›
Chain: A
Length: 292 amino acids
Theoretical weight: 33.54 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P42684 (Residues: 279-546; Coverage: 23%)
Gene names: ABL2, ABLL, ARG
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2
Unit cell:
a: 165.92Å b: 39.8Å c: 43.13Å
α: 90° β: 95.69° γ: 90°
R-values:
R R work R free
0.19 0.188 0.234
Expression system: Trichoplusia ni

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