PDB entry 3t9t

View 3t9t on RCSB PDB site
Description: Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline
Class: transferase/transferase inhibitor
Keywords: kinase domain, alpha/beta, ATP binding, phosphorylation, intracellular, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-08-03, released 2011-10-12
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-10-26, with a file datestamp of 2011-10-21.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: 0.169
AEROSPACI score: 0.58 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase ITK/TSK
    Species: Homo sapiens [TaxId:9606]
    Gene: ITK, EMT, LYK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q08881
      • engineered mutation (81)
      • engineered mutation (242)
    Domains in SCOPe 2.03: d3t9ta_
  • Heterogens: IAQ, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3t9tA (A:)
    gkwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkl
    shpklvqlygvcleqapiclvtefmehgclsdylrtqrglfaaetllgmcldvcegmayl
    eeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfs
    ryssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnh
    cwrerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3t9tA (A:)
    wvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmklsh
    pklvqlygvcleqapiclvtefmehgclsdylrtqrglfaaetllgmcldvcegmaylee
    acvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsry
    ssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhcw
    rerpedrpafsrllrqlaeiaes