PDB entry 3kcf

View 3kcf on RCSB PDB site
Description: Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
Class: transferase
Keywords: KINASE, TGFBETARI, STRUCTURE-BASED DRUG DESIGN, PROTEIN-INHIBITOR COMPLEX, Aortic aneurysm, ATP-binding, Craniosynostosis, Disease mutation, Disulfide bond, Glycoprotein, Magnesium, Manganese, Membrane, Metal-binding, Nucleotide-binding, Phosphoprotein, Polymorphism, Receptor, Serine/threonine-protein kinase, Transferase, Transmembrane
Deposited on 2009-10-21, released 2009-12-22
The last revision prior to the SCOPe 2.04 freeze date was dated 2010-02-23, with a file datestamp of 2010-02-19.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.237
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: TGF-beta receptor type-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TGFBR1, TGFBRI
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kcfa_
  • Chain 'B':
    Compound: TGF-beta receptor type-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TGFBR1, TGFBRI
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kcfb_
  • Chain 'C':
    Compound: TGF-beta receptor type-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TGFBR1, TGFBRI
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kcfc_
  • Chain 'D':
    Compound: TGF-beta receptor type-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TGFBR1, TGFBRI
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kcfd_
  • Chain 'E':
    Compound: TGF-beta receptor type-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TGFBR1, TGFBRI
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kcfe_
  • Heterogens: JZO, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3kcfA (A:)
    edpsldrpfisegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwr
    gkwrgeevavkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsd
    yhehgslfdylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilv
    kkngtcciadlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradi
    yamglvfweiarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqsc
    ealrvmakimrecwyangaarltalrikktlsqlsqqegikm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kcfA (A:)
    isegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwrgkwrgeeva
    vkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsdyhehgslfd
    ylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilvkkngtccia
    dlglavrhdsatdtidinhrvgtkrymapevlddsinmkhfesfkradiyamglvfweia
    rrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqscealrvmakimr
    ecwyangaarltalrikktlsqlsqqeg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3kcfB (B:)
    edpsldrpfisegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwr
    gkwrgeevavkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsd
    yhehgslfdylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilv
    kkngtcciadlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradi
    yamglvfweiarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqsc
    ealrvmakimrecwyangaarltalrikktlsqlsqqegikm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kcfB (B:)
    isegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwrgkwrgeeva
    vkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsdyhehgslfd
    ylnrytvtvegmiklalstasglahlhmeigkpaiahrdlksknilvkkngtcciadlgl
    avrhdsatdtidihrvgtkrymapevlddsinmkhfesfkradiyamglvfweiarrcsi
    ggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqscealrvmakimrecwya
    ngaarltalrikktlsqlsqqegi
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3kcfC (C:)
    edpsldrpfisegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwr
    gkwrgeevavkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsd
    yhehgslfdylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilv
    kkngtcciadlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradi
    yamglvfweiarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqsc
    ealrvmakimrecwyangaarltalrikktlsqlsqqegikm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kcfC (C:)
    isegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwrgkwrgeeva
    vkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsdyhehgslfd
    ylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilvkkngtccia
    dlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradiyamglvfwe
    iarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqscealrvmaki
    mrecwyangaarltalrikktlsqlsqqeg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3kcfD (D:)
    edpsldrpfisegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwr
    gkwrgeevavkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsd
    yhehgslfdylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilv
    kkngtcciadlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradi
    yamglvfweiarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqsc
    ealrvmakimrecwyangaarltalrikktlsqlsqqegikm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kcfD (D:)
    isegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwrgkwrgeeva
    vkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsdyhehgslfd
    ylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilvkkngtccia
    dlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradiyamglvfwe
    iarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqscealrvmaki
    mrecwyangaarltalrikktlsqlsqqeg
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3kcfE (E:)
    edpsldrpfisegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwr
    gkwrgeevavkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsd
    yhehgslfdylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilv
    kkngtcciadlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradi
    yamglvfweiarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqsc
    ealrvmakimrecwyangaarltalrikktlsqlsqqegikm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kcfE (E:)
    isegttlkdliydmttsgsgsglpllvqrtiartivlqesigkgrfgevwrgkwrgeeva
    vkifssreerswfreaeiyqtvmlrhenilgfiaadnkdngtwtqlwlvsdyhehgslfd
    ylnrytvtvegmiklalstasglahlhmeivgtqgkpaiahrdlksknilvkkngtccia
    dlglavrhdsatdtidiapnhrvgtkrymapevlddsinmkhfesfkradiyamglvfwe
    iarrcsiggihedyqlpyydlvpsdpsveemrkvvceqklrpnipnrwqscealrvmaki
    mrecwyangaarltalrikktlsqlsqqeg