› 5zz4

X-ray diffraction
2.9Å resolution

Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e

Released:
DOI: 10.2210/pdb5zz4/pdb
PDB entry 5zz4 coloured by chain, front view.
PDB entry 5zz4 coloured by chain, side view.
PDB entry 5zz4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis.
Kawahata W, Asami T, Kiyoi T, Irie T, Taniguchi H, Asamitsu Y, Inoue T, Miyake T, Sawa M
J Med Chem 61 8917-8933 (2018)
PMID: 30216722

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 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 268 amino acids
Theoretical weight: 31.18 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q06187 (Residues: 393-656; Coverage: 40%)
Gene names: AGMX1, ATK, BPK, BTK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 9M3 6 x 9M3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-002
Spacegroup: C2
Unit cell:
a: 71.265Å b: 41.155Å c: 587.937Å
α: 90° β: 90.01° γ: 90°
R-values:
R R work R free
0.227 0.222 0.316
Expression system: unidentified baculovirus

Quick links

Citations

3 review citations

Recent Advances in BTK Inhibitors for the Treatment of Inflammatory and Autoimmune Diseases.
Zhang et al. (2021)
2 more