PDB entry 4otq

View 4otq on RCSB PDB site
Description: Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea
Class: transferase/transferase inhibitor
Keywords: TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-02-14, released 2014-05-14
The last revision prior to the SCOPe 2.04 freeze date was dated 2014-05-14, with a file datestamp of 2014-05-09.
Experiment type: XRAY
Resolution: 1.55 Å
R-factor: 0.15
AEROSPACI score: 0.57 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase BTK
    Species: Homo sapiens [TaxId:9606]
    Gene: BTK, AGMX1, ATK, BPK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q06187
      • engineered mutation (112)
      • engineered mutation (115)
      • engineered mutation (247-248)
    Domains in SCOPe 2.04: d4otqa_
  • Heterogens: 2V2, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4otqA (A:)
    gsqqnknapstaglgygsweidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegs
    msedefieeakvmmnlsheklvqlygvctkqrpifiiteymangcllnylrearhafqtq
    qllemckdvceameyleskqflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvg
    skfpvrwsppevlmyskfssksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrl
    yrphlasaavytimyscwhekaderptfkillsnildvmdees
    

    Sequence, based on observed residues (ATOM records): (download)
    >4otqA (A:)
    eidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnlshe
    klvqlygvctkqrpifiiteymangcllnylrearhafqtqqllemckdvceameylesk
    qflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmyskfs
    sksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasaavytimyscwh
    ekaderptfkillsnildvmdee