PDB entry 6cnx

View 6cnx on RCSB PDB site
Description: Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor
Class: Transferase/Transferase Inhibitor
Keywords: transferase, protein kinase domain, Structural Genomics, Structural Genomics Consortium, SGC, Transferase-Transferase Inhibitor Complex
Deposited on 2018-03-09, 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 Å
R-factor: N/A
AEROSPACI score: 0.32 (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: d6cnxa_
  • 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: d6cnxb_
  • 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: d6cnxc_
  • 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: d6cnxd_
  • Heterogens: F87, SO4, ACT, GOL, FCS, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cnxA (A:)
    aeqfavgeiitdmaaaawkvglpigqggfgciyladmnssesvgsdapcvvkvepsdngp
    lftelkfyqraakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlq
    kiyeanakrfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyg
    layrycpegvhkayaadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghl
    pwednlkdpkyvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyen
    lrdillqglkaigskddgkldl
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cnxB (B:)
    eqfavgeiitdmaaaawkvglpiggciyladmnssesvgsdapcvvkvepgplftelkfy
    qraakpeqiqkwirtrklkylgvpkywgsglhdksyrfmimdrfgsdlqkiyeanakrfs
    rktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayrycpegvh
    kayaadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednlkdpky
    vrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdillqglka
    igskddgkldl
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cnxC (C:)
    eqfavgeiitdmaaaawkvglpiciyladmnssesvgsdapcvvkvepsdngplftelkf
    yqraakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlqkiyeana
    krfsrktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayrycp
    egvhkayaadhdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednlkdpky
    vrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdillqglka
    igskddgkldl
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >6cnxD (D:)
    avgeiitdmaaaawkvglpiciyladmnssesvgsdapcvvkvepsdngplftelkfyqr
    aakpeqiqkwirtrklkylgvpkywgsglhdkngksyrfmimdrfgsdlqkiyeanakrf
    srktvlqlslrildileyiheheyvhgdikasnlllnyknpdqvylvdyglayrycpegv
    hkayaadpkrchdgtieftsidahngvapsrrgdleilgycmiqwltghlpwednlkdpk
    yvrdskiryreniaslmdkcfpaanapgeiakymetvklldytekplyenlrdillqglk
    aigskddgkldl