PDB entry 4ppb

View 4ppb on RCSB PDB site
Description: ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Class: transferase/transferase inhibitor
Keywords: protein kinase, transferase-transferase inhibitor complex
Deposited on 2014-02-26, released 2014-06-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-01-31, with a file datestamp of 2018-01-26.
Experiment type: XRAY
Resolution: 2.82 Å
R-factor: N/A
AEROSPACI score: 0.16 (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 (2-End)
      • expression tag (1)
    Domains in SCOPe 2.08: d4ppba1, d4ppba2
  • Chain 'B':
    Compound: Tyrosine-protein kinase ITK/TSK
    Species: Homo sapiens [TaxId:9606]
    Gene: ITK, EMT, LYK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q08881 (2-End)
      • expression tag (1)
    Domains in SCOPe 2.08: d4ppbb1, d4ppbb2
  • Heterogens: 2VV

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4ppbA (A:)
gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqetsstgtkfpvkwaspevfsfsr
yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
wkerpedrpafsrllrqlaeiaesgl

    Sequence, based on observed residues (ATOM records): (download) 
    >4ppbA (A:)
svidpseltfvqeigsgqfglvhlgywlnkdkvaiktiedfieeaevmmklshpklvqly
gvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvihrd
laarnclvgenqvikvsdfgpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipye
nrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ppbB (B:)
gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqetsstgtkfpvkwaspevfsfsr
yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
wkerpedrpafsrllrqlaeiaesgl

    Sequence, based on observed residues (ATOM records): (download) 
    >4ppbB (B:)
svidpseltfvqeigsgqfglvhlgywlnkdkvaiktiedfieeaevmmklshpklvqly
gvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvihrd
laarnclvgenqvikvsdfgpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipye
nrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesg