PDB entry 5j7b

View 5j7b on RCSB PDB site
Description: The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, GSK583 complex
Class: Transferase/Transferase Inhibitor
Keywords: kinase domain, kinase inhibitor, structure-based drug design, inhibitor selectivity, Transferase-Transferase Inhibitor complex
Deposited on 2016-04-06, released 2016-05-18
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-06-08, with a file datestamp of 2016-06-03.
Experiment type: XRAY
Resolution: 2.53 Å
R-factor: N/A
AEROSPACI score: 0.21 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: receptor-interacting serine/threonine-protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: RIPK2, CARDIAK, RICK, RIP2, UNQ277/PRO314/PRO34092
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5j7ba_
  • Chain 'B':
    Compound: receptor-interacting serine/threonine-protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: RIPK2, CARDIAK, RICK, RIP2, UNQ277/PRO314/PRO34092
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5j7bb_
  • Heterogens: 6GD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5j7bA (A:)
    mdykddddkenlyfqgmngeaicsalptipyhkladlrylsrgasgtvssarhadwrvqv
    avkhlhihtplldserkdvlreaeilhkarfsyilpilgicnepeflgivteympngsln
    ellhrkteypdvawplrfrilheialgvnylhnmtppllhhdlktqnilldnefhvkiad
    fglskwrmmslsqsrssksapeggtiiymppenyepgqksrasikhdiysyavitwevls
    rkqpfedvtnplqimysvsqghrpvineeslpydiphrarmisliesgwaqnpderpsfl
    kclielepvlrtfeeitfleaviqlk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5j7bA (A:)
    aicsalptipyhkladlrylsrgasgtvssarhadwrvqvavkhllldserkdvlreaei
    lhkarfsyilpilgicnepeflgivteympngslnellhrkteypdvawplrfrilheia
    lgvnylhnmtppllhhdlktqnilldnefhvkiadfglgtiiymppenyesrasikhdiy
    syavitwevlsrkqpfedvtnplqimysvsqghrpvineeslpydiphrarmisliesgw
    aqnpderpsflkclielepvlrtfeeitfleaviqlk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5j7bB (B:)
    mdykddddkenlyfqgmngeaicsalptipyhkladlrylsrgasgtvssarhadwrvqv
    avkhlhihtplldserkdvlreaeilhkarfsyilpilgicnepeflgivteympngsln
    ellhrkteypdvawplrfrilheialgvnylhnmtppllhhdlktqnilldnefhvkiad
    fglskwrmmslsqsrssksapeggtiiymppenyepgqksrasikhdiysyavitwevls
    rkqpfedvtnplqimysvsqghrpvineeslpydiphrarmisliesgwaqnpderpsfl
    kclielepvlrtfeeitfleaviqlk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5j7bB (B:)
    eaicsalptipyhkladlrylsrgasgtvssarhadwrvqvavkhlserkdvlreaeilh
    karfsyilpilgicnepeflgivteympngslnellhrkteypdvawplrfrilheialg
    vnylhnmtppllhhdlktqnilldnefhvkiadfgleggtiiymppenyepgqksrasik
    hdiysyavitwevlsrkqpfedvtnplqimysvsqghrpvineeslpydiphrarmisli
    esgwaqnpderpsflkclielepvlrtfeeitfleaviqlk