PDB entry 6qad

View 6qad on RCSB PDB site
Description: Human Butyrylcholinesterase in complex with ((S)-2-(butylamino)-N-(2-(4-(dimethylamino)cyclohexyl)ethyl)-3-(1H-indol-3-yl)propanamide
Class: hydrolase
Keywords: Butyrylcholinesterase, inhibitor, complex, HYDROLASE
Deposited on 2018-12-19, released 2019-03-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-07-29, with a file datestamp of 2020-06-29.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.27 (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 2.08: d6qada_
  • Heterogens: HUZ, NAG, DMS, GOL, MES, SO4, HOH

PDB Chain Sequences:

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

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