PDB entry 6qab

View 6qab on RCSB PDB site
Description: Human Butyrylcholinesterase in complex with (S)-N-(1-((2-cycloheptylethyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-N,N-dimethylbutan-1-aminium
Class: hydrolase
Keywords: Butyrylcholinesterase, inhibitor, complex, HYDROLASE
Deposited on 2018-12-19, released 2019-03-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-03-27, with a file datestamp of 2019-03-22.
Experiment type: XRAY
Resolution: 2.49 Å
R-factor: N/A
AEROSPACI score: 0.2 (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):
    • Uniprot P06276 (Start-556)
      • engineered mutation (44)
      • engineered mutation (482)
      • engineered mutation (508)
      • engineered mutation (513)
    Domains in SCOPe 2.07: d6qaba_
  • Heterogens: HUQ, NAG, FUC, DMS, GOL, MES, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6qabA (A:)
    mdskvtiicirflfwflllcmligkshteddiiiatkngkvrgmqltvfggtvtaflgip
    yaqpplgrlrfkkpqsltkwsdiwnatkyansccqnidqsfpgfhgsemwnpntdlsedc
    lylnvwipapkpknatvliwiygggfqtgtsslhvydgkflarvervivvsmnyrvgalg
    flalpgnpeapgnmglfdqqlalqwvqkniaafggnpksvtlfgesagaasvslhllspg
    shslftrailqsgsfnapwavtslyearnrtlnlakltgcsreneteiikclrnkdpqei
    llneafvvpygtplsvnfgptvdgdfltdmpdillelgqfkktqilvgvnkdegtaflvy
    gapgfskdnnsiitrkefqeglkiffpgvsefgkesilfhytdwvddqrpenyrealgdv
    vgdynficpaleftkkfsewgnnaffyyfehrssklpwpewmgvmhgyeiefvfglpler
    rdqytkaeeilsrsivkrwanfakygnpqetqnqstswpvfksteqkyltlntestrimt
    klraqqcrfwtsffpkv
    

    Sequence, based on observed residues (ATOM records): (download)
    >6qabA (A:)
    iiiatkngkvrgmqltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkyan
    sccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgts
    slhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqknia
    afggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnrt
    lnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdmp
    dillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvse
    fgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfeh
    rssklpwpewmgvmhgyeiefvfglplerrdqytkaeeilsrsivkrwanfakygnpqet
    qnqstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkv