PDB entry 5nap

View 5nap on RCSB PDB site
Description: Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17
Class: hydrolase
Keywords: Acetylcholinesterase, inhibitors, Alzheimer's disease, donepezil analogues, green chemistry, hydrolase
Deposited on 2017-02-28, released 2018-05-02
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-05-02, with a file datestamp of 2018-04-27.
Experiment type: XRAY
Resolution: 2.17 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: acetylcholinesterase
    Species: Tetronarce californica [TaxId:7787]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5napa_
  • Heterogens: NAG, FUC, BMA, MAN, DZ7, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5napA (A:)
    ddhsellvntksgkvmgtrvpvlsshisaflgipfaeppvgnmrfrrpepkkpwsgvwna
    stypnncqqyvdeqfpgfsgsemwnpnremsedclylniwvpsprpksttvmvwiygggf
    ysgsstldvyngkylayteevvlvslsyrvgafgflalhgsqeapgnvglldqrmalqwv
    hdniqffggdpktvtifgesaggasvgmhilspgsrdlfrrailqsgspncpwasvsvae
    grrravelgrnlncnlnsdeelihclrekkpqelidvewnvlpfdsifrfsfvpvidgef
    fptslesmlnsgnfkktqillgvnkdegsffllygapgfskdseskisredfmsgvklsv
    phandlgldavtlqytdwmddnngiknrdglddivgdhnvicplmhfvnkytkfgngtyl
    yffnhrasnlvwpewmgvihgyeiefvfglplvkelnytaeeealsrrimhywatfaktg
    npnephsqeskwplfttkeqkfidlntepmkvhqrlrvqmcvfwnqflpkllnatacdge
    lss
    

    Sequence, based on observed residues (ATOM records): (download)
    >5napA (A:)
    sellvntksgkvmgtrvpvlsshisaflgipfaeppvgnmrfrrpepkkpwsgvwnasty
    pnncqqyvdeqfpgfsgsemwnpnremsedclylniwvpsprpksttvmvwiygggfysg
    sstldvyngkylayteevvlvslsyrvgafgflalhgsqeapgnvglldqrmalqwvhdn
    iqffggdpktvtifgesaggasvgmhilspgsrdlfrrailqsgspncpwasvsvaegrr
    ravelgrnlncnlnsdeelihclrekkpqelidvewnvlpfdsifrfsfvpvidgeffpt
    slesmlnsgnfkktqillgvnkdegsffllygapgfskdseskisredfmsgvklsvpha
    ndlgldavtlqytdwmddnngiknrdglddivgdhnvicplmhfvnkytkfgngtylyff
    nhrasnlvwpewmgvihgyeiefvfglplvkelnytaeeealsrrimhywatfaktgnpn
    ephsqeskwplfttkeqkfidlntepmkvhqrlrvqmcvfwnqflpkllnat