PDB entry 4kiq

View 4kiq on RCSB PDB site
Description: Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
Class: transferase/transferase inhibitor
Keywords: SERINE/THREONINE-PROTEIN KINASE, KINASE, TRANSFERASE, P38 MAP KINASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-05-02, released 2013-06-12
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-08-07, with a file datestamp of 2013-08-02.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.186
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kiqa_
  • Chain 'B':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kiqb_
  • Chain 'C':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kiqc_
  • Chain 'D':
    Compound: Mitogen-activated protein kinase 14
    Species: Homo sapiens [TaxId:9606]
    Gene: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4kiqd_
  • Heterogens: 1RA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4kiqA (A:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kiqA (A:)
    erptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkklsrpfqsii
    hakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnnivkcqklt
    ddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglaatrwyrapeim
    lnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkisses
    arnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqyhdp
    ddepvadpydqsfesrdllidewksltydevisfvppp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4kiqB (B:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kiqB (B:)
    erptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkklsrpfqsii
    hakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnnivkcqklt
    ddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglaatrwyrapeim
    lnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkisses
    arnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqyhdp
    ddepvadpydqsfesrdllidewksltydevisfvppp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4kiqC (C:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kiqC (C:)
    erptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkklsrpfqsii
    hakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnnivkcqklt
    ddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglaatrwyrapeim
    lnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkisses
    arnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqyhdp
    ddepvadpydqsfesrdllidewksltydevisfvppp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4kiqD (D:)
    mahhhhhsqerptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkk
    lsrpfqsiihakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadln
    nivkcqkltddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglarh
    tddemtgyvatrwyrapeimlnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlkl
    ilrlvgtpgaellkkissesarnyiqsltqmpkmnfanvfiganplavdllekmlvldsd
    kritaaqalahayfaqyhdpddepvadpydqsfesrdllidewksltydevisfvpppld
    qeemes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kiqD (D:)
    erptfyrqelnktiwevperyqnlspvgsgaygsvcaafdtktglrvavkklsrpfqsii
    hakrtyrelrllkhmkhenviglldvftparsleefndvylvthlmgadlnnivkcqklt
    ddhvqfliyqilrglkyihsadiihrdlkpsnlavnedcelkildfglaatrwyrapeim
    lnwmhynqtvdiwsvgcimaelltgrtlfpgtdhidqlklilrlvgtpgaellkkisses
    arnyiqsltqmpkmnfanvfiganplavdllekmlvldsdkritaaqalahayfaqyhdp
    ddepvadpydqsfesrdllidewksltydevisfvppp