Brand  (β version)

PDB ID: 5ZZ4

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Ligands
Code Name Style Show Link
9M3 N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide PoSSuM
Non-standard Residues
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Structure summary

Code : 5ZZ4   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of bruton'S tyrosine kinase in complex with inhibitor 2e
Release Data : 2018-09-26
Compound :
mol_id molecule chains synonym
1 Tyrosine-protein kinase BTK A,B,C,D,E,F Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase
ec: 2.7.10.2
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Unidentified baculovirus  (taxid:10469)
gene: BTK, AGMX1, ATK, BPK
expression_system_vector_type: Baculovirus
Authors : Kawahata, W., Asami, T., Irie, T., Kiyoi, T., Taniguchi, H., Asamitsu, Y., Inoue, T., Miyake, T., Sawa, M.
Keywords : protein kinase, inhibitor complex, non-covalent, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.9000 Å )
Citation :

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.  et al.
(2018)  J. Med. Chem.  61 : 8917 - 8933

PubMed: 30216722
DOI: 10.1021/acs.jmedchem.8b01147

Reaction

Chain : A, B, C, D, E, F
UniProt : Q06187 (BTK_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+) 2.7.10.2 PROSITE-ProRule:PRU10028, PubMed:11606584, PubMed:34554188
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Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:10196129
ECO:0000269 | PubMed:9218782
ECO:0000269 | Ref.50
Binds 1 zinc ion per subunit.