› 6aua

X-ray diffraction
1.66Å resolution

CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2625

Released:
DOI: 10.2210/pdb6aua/pdb
PDB entry 6aua coloured by chain, front view.
PDB entry 6aua coloured by chain, side view.
PDB entry 6aua coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Davies DR, Staker BL

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-170299 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase BTK Chain: A
Molecule details ›
Chain: A
Length: 265 amino acids
Theoretical weight: 30.9 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q06187 (Residues: 394-656; Coverage: 40%)
Gene names: AGMX1, ATK, BPK, BTK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand GOL 1 x GOL
Ligand SO4 2 x SO4
Ligand BXJ 1 x BXJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P61
Unit cell:
a: 108.708Å b: 108.708Å c: 42.451Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.158 0.158 0.185
Expression system: Spodoptera frugiperda

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