PDB entry 4au8

View 4au8 on RCSB PDB site
Description: Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
Class: transferase
Keywords: transferase, cdk2, alzheimer disease
Deposited on 2012-05-14, released 2013-03-27
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-03-27, with a file datestamp of 2013-03-22.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.1974
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cyclin-dependent kinase 5
    Species: Homo sapiens [TaxId:9606]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q00535 (5-End)
      • expression tag (3-4)
    Domains in SCOPe 2.05: d4au8a_
  • Chain 'B':
    Compound: cyclin-dependent kinase 5
    Species: Homo sapiens [TaxId:9606]
    Gene:
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4au8b_
  • Heterogens: SO4, Z3R, IMD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4au8A (A:)
    gamgsqkyeklekigegtygtvfkaknretheivalkrvrlddddegvpssalreicllk
    elkhknivrlhdvlhsdkkltlvfefcdqdlkkyfdscngdldpeivksflfqllkglgf
    chsrnvlhrdlkpqnllinrngelkladfglarafgipvrcysaevvtlwyrppdvlfga
    klystsidmwsagcifaelanagrplfpgndvddqlkrifrllgtpteeqwpsmtklpdy
    kpypmypattslvnvvpklnatgrdllqnllkcnpvqrisaeealqhpyfsdfcpp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4au8A (A:)
    gsqkyeklekigegtygtvfkaknretheivalkrvpssalreicllkelkhknivrlhd
    vlhkltlvfefcdqdlkkyfdscngdldpeivksflfqllkglgfchsrnvlhrdlkpqn
    llinrngelkladfglarafgipvrsaevvtlwyrppdvlfgaklystsidmwsagcifa
    elanagrplfpgndvddqlkrifrllgtpteeqwpsmtklpdykpypmypattslvnvvp
    klnatgrdllqnllkcnpvqrisaeealqhpyfsdf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4au8B (B:)
    gamgsqkyeklekigegtygtvfkaknretheivalkrvrlddddegvpssalreicllk
    elkhknivrlhdvlhsdkkltlvfefcdqdlkkyfdscngdldpeivksflfqllkglgf
    chsrnvlhrdlkpqnllinrngelkladfglarafgipvrcysaevvtlwyrppdvlfga
    klystsidmwsagcifaelanagrplfpgndvddqlkrifrllgtpteeqwpsmtklpdy
    kpypmypattslvnvvpklnatgrdllqnllkcnpvqrisaeealqhpyfsdfcpp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4au8B (B:)
    qkyeklekigegtygtvfkaknretheivalkrvrlegvpssalreicllkelkhknivr
    lhdvlhskkltlvfefcdqdlkkyfdscngdldpeivksflfqllkglgfchsrnvlhrd
    lkpqnllinrngelkladfglarafgipvvvtlwyrppdvlfgaklystsidmwsagcif
    aelanagrplfpgndvddqlkrifrllgtpteeqwpsmtklpdykpypmypattslvnvv
    pklnatgrdllqnllkcnpvqrisaeealqhpyfsdf