PDB entry 4cfw

View 4cfw on RCSB PDB site
Description: Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Class: cell cycle
Keywords: cell cycle, structure-based drug design, conformational restraint, reversed binding mode
Deposited on 2013-11-19, released 2013-12-18
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-02-12, with a file datestamp of 2014-02-07.
Experiment type: XRAY
Resolution: 2.45 Å
R-factor: 0.18766
AEROSPACI score: 0.28 (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 (5-302)
      • expression tag (3-4)
    Domains in SCOPe 2.07: d4cfwa1, d4cfwa2
  • Chain 'B':
    Compound: Cyclin-A2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4cfwb1, d4cfwb2
  • 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 (3-4)
    Domains in SCOPe 2.07: d4cfwc1, d4cfwc2
  • Chain 'D':
    Compound: Cyclin-A2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4cfwd1, d4cfwd2
  • Heterogens: SQ9, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4cfwA (A:)
gsmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisllkel
nhpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqglafc
hshrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeillgck
yystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpdykp
sfpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvphlrl

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4cfwC (C:)
gsmenfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisllkel
nhpnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqglafc
hshrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeillgck
yystavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpdykp
sfpkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvphl

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4cfwD (D:)
vpdyhedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeyklqnetlhl
avnyidrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtytkkqvlrm
ehlvlkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpylkylpsv
iagaafhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqqsirekyk
nskyhgvsllnppetlnl

    Sequence, based on observed residues (ATOM records): (download) 
    >4cfwD (D:)
pdyhedihtylremevkckpkvgymkkqpditnsmrailvdwlvevgeeyklqnetlhla
vnyidrflssmsvlrgklqlvgtaamllaskfeeiyppevaefvyitddtytkkqvlrme
hlvlkvltfdlaaptvnqfltqyflhqqpanckveslamflgelslidadpylkylpsvi
agaafhlalytvtgqswpeslirktgytleslkpclmdlhqtylkapqhaqqsirekykn
skyhgvsllnppetlnl