PDB entry 2wpa

View 2wpa on RCSB PDB site
Description: optimisation of 6,6-dimethyl pyrrolo 3,4-c pyrazoles: identification of pha-793887, a potent cdk inhibitor suitable for intravenous dosing
Class: cell cycle
Keywords: serine/threonine-protein 2 kinase, cyclin, mitosis, cell cycle, transferase, ATP-binding, phosphoprotein
Deposited on 2009-08-03, released 2010-02-23
The last revision prior to the SCOPe 2.06 freeze date was dated 2010-03-23, with a file datestamp of 2010-03-19.
Experiment type: XRAY
Resolution: 2.51 Å
R-factor: 0.223
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cell division protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WPA
    • Uniprot P24941 (5-302)
    Domains in SCOPe 2.06: d2wpaa1, d2wpaa2
  • Chain 'B':
    Compound: cyclin a2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WPA
    • Uniprot P20248 (Start-264)
    Domains in SCOPe 2.06: d2wpab1, d2wpab2
  • Chain 'C':
    Compound: Cell division protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WPA
    • Uniprot P24941 (5-302)
    Domains in SCOPe 2.06: d2wpac1, d2wpac2
  • Chain 'D':
    Compound: cyclin a2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WPA
    • Uniprot P20248 (Start-264)
    Domains in SCOPe 2.06: d2wpad1, d2wpad2
  • Heterogens: SO4, 889, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2wpaA (A:)
    gplvdmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisll
    kelnhpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqgl
    afchshrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeill
    gckyystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpd
    ykpsfpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvph
    lrlerphrd
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wpaA (A:)
    plvdmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisllk
    elnhpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqgla
    fchshrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeillg
    ckyystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpdy
    kpsfpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvphl
    rl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2wpaB (B:)
    gplgsnevpdyhedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeykl
    qnetlhlavnyidrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtyt
    kkqvlrmehlvlkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpy
    lkylpsviagaafhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqq
    sirekyknskyhgvsllnppetlnl
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wpaB (B:)
    vpdyhedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeyklqnetlhl
    avnyidrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtytkkqvlrm
    ehlvlkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpylkylpsv
    iagaafhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqqsirekyk
    nskyhgvsllnppetlnl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2wpaC (C:)
    gplvdmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisll
    kelnhpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqgl
    afchshrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeill
    gckyystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpd
    ykpsfpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvph
    lrlerphrd
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wpaC (C:)
    dmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisllkeln
    hpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqglafch
    shrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeillgcky
    ystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpdykps
    fpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvphlrl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2wpaD (D:)
    gplgsnevpdyhedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeykl
    qnetlhlavnyidrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtyt
    kkqvlrmehlvlkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpy
    lkylpsviagaafhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqq
    sirekyknskyhgvsllnppetlnl
    

    Sequence, based on observed residues (ATOM records): (download)
    >2wpaD (D:)
    hedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeyklqnetlhlavny
    idrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtytkkqvlrmehlv
    lkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpylkylpsviaga
    afhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqqsirekyknsky
    hgvsllnppetlnl