PDB entry 4cfm

View 4cfm on RCSB PDB site
Description: Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Class: cell cycle
Keywords: cell cycle, cyclin dependent kinases, structure-based drug design, conformational restraint, reversed binding mode
Deposited on 2013-11-18, released 2014-12-10
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-12-10, with a file datestamp of 2014-12-05.
Experiment type: XRAY
Resolution: 2.85 Å
R-factor: 0.21916
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cyclin-dependent kinase 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P24941 (5-End)
      • expression tag (4)
    Domains in SCOPe 2.06: d4cfma1, d4cfma2
  • Chain 'B':
    Compound: Cyclin-A2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4cfmb1, d4cfmb2
  • Chain 'C':
    Compound: cyclin-dependent kinase 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P24941 (5-End)
      • expression tag (4)
    Domains in SCOPe 2.06: d4cfmc1, d4cfmc2
  • Chain 'D':
    Compound: Cyclin-A2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4cfmd1, d4cfmd2
  • Heterogens: 4QE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4cfmA (A:)
    gplgsmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisll
    kelnhpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqgl
    afchshrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeill
    gckyystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpd
    ykpsfpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvph
    lrl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4cfmA (A:)
    smenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisllkeln
    hpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqglafch
    shrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeillgcky
    ystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpdykps
    fpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvphl
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4cfmB (B:)
    vpdyhedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeyklqnetlhl
    avnyidrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtytkkqvlrm
    ehlvlkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpylkylpsv
    iagaafhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqqsirekyk
    nskyhgvsllnppetlnl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4cfmC (C:)
    gplgsmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisll
    kelnhpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqgl
    afchshrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeill
    gckyystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpd
    ykpsfpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvph
    lrl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4cfmC (C:)
    smenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisllkeln
    hpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqglafch
    shrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeillgcky
    ystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpppldedgrsllsqmlhy
    dpnkrisakaalahpffqdvtkpvphl
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4cfmD (D:)
    vpdyhedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeyklqnetlhl
    avnyidrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtytkkqvlrm
    ehlvlkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpylkylpsv
    iagaafhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqqsirekyk
    nskyhgvsllnppetlnl