PDB entry 6cqh

View 6cqh on RCSB PDB site
Description: Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
Class: transferase/transferase inhibitor
Keywords: transferase, protein kinase domain, Structural Genomics, Structural Genomics Consortium, SGC, Transferase-Transferase Inhibitor Complex
Deposited on 2018-03-15, released 2018-03-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-03-28, with a file datestamp of 2018-03-23.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: N/A
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine/threonine-protein kinase VRK1
    Species: Homo sapiens [TaxId:9606]
    Gene: VRK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q99986
      • engineered mutation (33-35)
      • engineered mutation (211)
      • engineered mutation (213-214)
      • engineered mutation (291-292)
      • engineered mutation (294)
    Domains in SCOPe 2.07: d6cqha_
  • Chain 'B':
    Compound: Serine/threonine-protein kinase VRK1
    Species: Homo sapiens [TaxId:9606]
    Gene: VRK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q99986
      • engineered mutation (33-35)
      • engineered mutation (211)
      • engineered mutation (213-214)
      • engineered mutation (291-292)
      • engineered mutation (294)
    Domains in SCOPe 2.07: d6cqhb_
  • Chain 'C':
    Compound: Serine/threonine-protein kinase VRK1
    Species: Homo sapiens [TaxId:9606]
    Gene: VRK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q99986
      • engineered mutation (33-35)
      • engineered mutation (211)
      • engineered mutation (213)
      • engineered mutation (291-292)
      • engineered mutation (294)
    Domains in SCOPe 2.07: d6cqhc_
  • Chain 'D':
    Compound: Serine/threonine-protein kinase VRK1
    Species: Homo sapiens [TaxId:9606]
    Gene: VRK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q99986
      • engineered mutation (33-35)
      • engineered mutation (211)
      • engineered mutation (213-214)
      • engineered mutation (291-292)
      • engineered mutation (294)
    Domains in SCOPe 2.07: d6cqhd_
  • Heterogens: F8Y, SO4, ACT, GOL, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6cqhA (A:)
    smrvkaaqagrqssakrhlaeqfavgeiitdmaaaawkvglpigqggfgciyladmnsse
    svgsdapcvvkvepsdngplftelkfyqraakpeqiqkwirtrklkylgvpkywgsglhd
    kngksyrfmimdrfgsdlqkiyeanakrfsrktvlqlslrildileyiheheyvhgdika
    snlllnyknpdqvylvdyglayrycpegvhkayaadpkrchdgtieftsidahngvapsr
    rgdleilgycmiqwltghlpwednlkdpkyvrdskiryreniaslmdkcfpaanapgeia
    kymetvklldytekplyenlrdillqglkaigskddgkldlsvvengglkaktitkkraa
    eiee
    

    Sequence, based on observed residues (ATOM records): (download)
    >6cqhA (A:)
    aeqfavgeiitdmaaaawkvglpigqfgciyladmnssesvgsdapcvvkvepsdngplf
    telkfyqraakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlqki
    yeanakrfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdygla
    yrycpegvhkayaadpdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednl
    kdpkyvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdill
    qglkaigskddgkldl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6cqhB (B:)
    smrvkaaqagrqssakrhlaeqfavgeiitdmaaaawkvglpigqggfgciyladmnsse
    svgsdapcvvkvepsdngplftelkfyqraakpeqiqkwirtrklkylgvpkywgsglhd
    kngksyrfmimdrfgsdlqkiyeanakrfsrktvlqlslrildileyiheheyvhgdika
    snlllnyknpdqvylvdyglayrycpegvhkayaadpkrchdgtieftsidahngvapsr
    rgdleilgycmiqwltghlpwednlkdpkyvrdskiryreniaslmdkcfpaanapgeia
    kymetvklldytekplyenlrdillqglkaigskddgkldlsvvengglkaktitkkraa
    eiee
    

    Sequence, based on observed residues (ATOM records): (download)
    >6cqhB (B:)
    qfavgeiitdmaaaawkvglpigqggfgciyladmnssesvgsdapcvvkvepsdngplf
    telkfyqraakpeqiqkwirtrklkylgvpkywgsglhdsyrfmimdrfgsdlqkiyean
    akrfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayryc
    pegvhkayaadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednl
    kdpkyvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdill
    qglkaigskddgkldl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6cqhC (C:)
    smrvkaaqagrqssakrhlaeqfavgeiitdmaaaawkvglpigqggfgciyladmnsse
    svgsdapcvvkvepsdngplftelkfyqraakpeqiqkwirtrklkylgvpkywgsglhd
    kngksyrfmimdrfgsdlqkiyeanakrfsrktvlqlslrildileyiheheyvhgdika
    snlllnyknpdqvylvdyglayrycpegvhkayaadpkrchdgtieftsidahngvapsr
    rgdleilgycmiqwltghlpwednlkdpkyvrdskiryreniaslmdkcfpaanapgeia
    kymetvklldytekplyenlrdillqglkaigskddgkldlsvvengglkaktitkkraa
    eiee
    

    Sequence, based on observed residues (ATOM records): (download)
    >6cqhC (C:)
    eqfavgeiitdmaaaawkvglpiciyladmnssesvgsdapcvvkvepsdngplftelkf
    yqraakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlqkiyeana
    krfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayrycp
    egvhkayadgtieftsidahngvapsrrgdleilgycmiqwltghlpwednlkdpkyvrd
    skiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdillqglkaigs
    kddgkldl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6cqhD (D:)
    smrvkaaqagrqssakrhlaeqfavgeiitdmaaaawkvglpigqggfgciyladmnsse
    svgsdapcvvkvepsdngplftelkfyqraakpeqiqkwirtrklkylgvpkywgsglhd
    kngksyrfmimdrfgsdlqkiyeanakrfsrktvlqlslrildileyiheheyvhgdika
    snlllnyknpdqvylvdyglayrycpegvhkayaadpkrchdgtieftsidahngvapsr
    rgdleilgycmiqwltghlpwednlkdpkyvrdskiryreniaslmdkcfpaanapgeia
    kymetvklldytekplyenlrdillqglkaigskddgkldlsvvengglkaktitkkraa
    eiee
    

    Sequence, based on observed residues (ATOM records): (download)
    >6cqhD (D:)
    qfavgeiitdmaaaawkvglpigciyladmnssesvgsdapcvvkvepsdngplftelkf
    yqraakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlqkiyeana
    krfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayrycp
    egvhkayaadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednlk
    dpkyvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdillq
    glkaigskddgkldl