PDB entry 6csw

View 6csw on RCSB PDB site
Description: Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
Class: Transferase/Transferase Inhibitor
Keywords: transferase, protein kinase domain, Structural Genomics, Structural Genomics Consortium, SGC, Transferase-Transferase Inhibitor Complex
Deposited on 2018-03-21, released 2018-04-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-04-04, with a file datestamp of 2018-03-29.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: N/A
AEROSPACI score: 0.26 (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: d6cswa_
  • 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: d6cswb_
  • 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 (213-214)
      • engineered mutation (291-292)
      • engineered mutation (294)
    Domains in SCOPe 2.07: d6cswc_
  • 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: d6cswd_
  • Heterogens: SO4, ACT, PG4, FBY, GOL, CL, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cswA (A:)
    aeqfavgeiitdmaaaawkvglpiciyladmnssesvgsdapcvvkvepsdngplftelk
    fyqraakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlqkiyean
    akrfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayryc
    pegvhkayaadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednl
    kdpkyvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdill
    qglkaigskddgkldl
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cswB (B:)
    favgeiitdmaaaawkvglpigqgciyladmnvgdapcvvkvepsdngplftelkfyqra
    akpeqiqkwirtrklkylgvpkywgsglhdksyrfmimdrfgsdlqkiyeanakrfsrkt
    vlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayrycpegvhkay
    aadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednlkdpkyvrd
    skiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdillqglkaigs
    kddgkldl
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cswC (C:)
    aeqfavgeiitdmaaaawkvglpigqfgciyladmnssesvgsdapcvvkvepsdngplf
    telkfyqraakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlqki
    yeanakrfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdygla
    yrycpegvhkayaadprchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwe
    dnlkdpkyvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrd
    illqglkaigskddgkldl
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cswD (D:)
    qfavgeiitdmaaaawkvglpifgciyladmnsesvgsdapcvvkvepsdnplftelkfy
    qraakpeqiqkwirtrklkylgvpkywgsglhdknsyrfmimdrfgsdlqkiyeanakrf
    srktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayrycpegv
    hkayaadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednlkdpk
    yvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdillqglk
    aigskddgkldl