PDB entry 4m14

View 4m14 on RCSB PDB site
Description: Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)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: 1.55 Å
R-factor: 0.166
AEROSPACI score: 0.55 (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: d4m14a_
  • Heterogens: QWS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4m14A (A:)
gsgkwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmm
klshpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegma
yleeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfs
fsryssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqim
nhcwrerpedrpafsrllrqlaeiaesgl

    Sequence, based on observed residues (ATOM records): (download) 
    >4m14A (A:)
kwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
wrerpedrpafsrllrqlaeiae