PDB entry 4m0y

View 4m0y on RCSB PDB site
Description: Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Class: transferase/transferase inhibitor
Keywords: kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-08-02, released 2014-04-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-06-04, with a file datestamp of 2014-05-30.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.192
AEROSPACI score: 0.46 (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
      • conflict (244)
    Domains in SCOPe 2.08: d4m0ya_
  • Heterogens: M0Y, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4m0yA (A:)
gsgkwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmm
klshpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegma
yleeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfs
fsryssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqim
nhcwrerpedrpafsrllrqlaeiaesgl

    Sequence, based on observed residues (ATOM records): (download) 
    >4m0yA (A:)
wvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmklsh
pklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmaylee
acvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsry
ssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhcw
rerpedrpafsrllrqlaeiaes