› 6yyg

X-ray diffraction
1.95Å resolution

Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C

Released:
DOI: 10.2210/pdb6yyg/pdb
PDB entry 6yyg coloured by chain, front view.
PDB entry 6yyg coloured by chain, side view.
PDB entry 6yyg coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Brear P, Wagstaff J, Hyvonen M

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170299 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase BTK Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 169 amino acids
Theoretical weight: 19.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q06187 (Residues: 2-170; Coverage: 26%)
Gene names: AGMX1, ATK, BPK, BTK
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand Q1B 3 x Q1B
Ligand MG 2 x MG
Ligand ZN 4 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21
Unit cell:
a: 68.649Å b: 67.195Å c: 79.641Å
α: 90° β: 99.66° γ: 90°
R-values:
R R work R free
0.234 0.23 0.299
Expression system: Escherichia coli BL21(DE3)

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