PDB entry 4tpk

View 4tpk on RCSB PDB site
Description: Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide
Class: hydrolase
Keywords: butyrylcholinesterase inhibition, hydrolase
Deposited on 2014-06-07, released 2014-10-22
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-10-22, with a file datestamp of 2014-10-17.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.186
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cholinesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: BCHE, CHE1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4tpka_
  • Chain 'B':
    Compound: cholinesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: BCHE, CHE1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4tpkb_
  • Heterogens: NAG, 3F9, GOL, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4tpkA (A:)
    mhskvtiicirflfwflllcmligkshteddiiiatkngkvrgmnltvfggtvtaflgip
    yaqpplgrlrfkkpqsltkwsdiwnatkyansccqnidqsfpgfhgsemwnpntdlsedc
    lylnvwipapkpknatvliwiygggfqtgtsslhvydgkflarvervivvsmnyrvgalg
    flalpgnpeapgnmglfdqqlalqwvqkniaafggnpksvtlfgesagaasvslhllspg
    shslftrailqsgsfnapwavtslyearnrtlnlakltgcsreneteiikclrnkdpqei
    llneafvvpygtplsvnfgptvdgdfltdmpdillelgqfkktqilvgvnkdegtaflvy
    gapgfskdnnsiitrkefqeglkiffpgvsefgkesilfhytdwvddqrpenyrealgdv
    vgdynficpaleftkkfsewgnnaffyyfehrssklpwpewmgvmhgyeiefvfglpler
    rdnytkaeeilsrsivkrwanfakygnpnetqnnstswpvfksteqkyltlntestrimt
    klraqqcrfwtsffpkvlemtgnideaewewkagfhrwnnymmdwknqfndytskkescv
    gl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4tpkA (A:)
    diiiatkngkvrgmnltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkya
    nsccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgt
    sslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqkni
    aafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnr
    tlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdm
    pdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvs
    efgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfe
    hrssklpwpewmgvmhgyeiefvfglplerrdnytkaeeilsrsivkrwanfakygnpne
    tqnnstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkvl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4tpkB (B:)
    mhskvtiicirflfwflllcmligkshteddiiiatkngkvrgmnltvfggtvtaflgip
    yaqpplgrlrfkkpqsltkwsdiwnatkyansccqnidqsfpgfhgsemwnpntdlsedc
    lylnvwipapkpknatvliwiygggfqtgtsslhvydgkflarvervivvsmnyrvgalg
    flalpgnpeapgnmglfdqqlalqwvqkniaafggnpksvtlfgesagaasvslhllspg
    shslftrailqsgsfnapwavtslyearnrtlnlakltgcsreneteiikclrnkdpqei
    llneafvvpygtplsvnfgptvdgdfltdmpdillelgqfkktqilvgvnkdegtaflvy
    gapgfskdnnsiitrkefqeglkiffpgvsefgkesilfhytdwvddqrpenyrealgdv
    vgdynficpaleftkkfsewgnnaffyyfehrssklpwpewmgvmhgyeiefvfglpler
    rdnytkaeeilsrsivkrwanfakygnpnetqnnstswpvfksteqkyltlntestrimt
    klraqqcrfwtsffpkvlemtgnideaewewkagfhrwnnymmdwknqfndytskkescv
    gl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4tpkB (B:)
    iiiatkngkvrgmnltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkyan
    sccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgts
    slhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqknia
    afggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnrt
    lnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdmp
    dillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvse
    fgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfeh
    rssklpwpewmgvmhgyeiefvfglplerrdnytkaeeilsrsivkrwanfakygnpnet
    nstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkvl