PDB entry 6i0b

View 6i0b on RCSB PDB site
Description: Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor.
Class: hydrolase
Keywords: butyrylcholinesterase, hydrolase, multi-target inhibitor
Deposited on 2018-10-25, 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 2020-07-17.
Experiment type: XRAY
Resolution: 2.38 Å
R-factor: N/A
AEROSPACI score: 0.29 (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-528)
      • engineered mutation (16)
      • engineered mutation (454)
      • engineered mutation (480)
      • engineered mutation (485)
    Domains in SCOPe 2.08: d6i0ba_
  • Heterogens: 9A5, NAG, MES, GOL, SO4, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6i0bA (A:)
eddiiiatkngkvrgmqltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatk
yansccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqt
gtsslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqk
niaafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyear
nrtlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdflt
dmpdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpg
vsefgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyy
fehrssklpwpewmgvmhgyeiefvfglplerrdqytkaeeilsrsivkrwanfakygnp
qetqnqstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkv

    Sequence, based on observed residues (ATOM records): (download) 
    >6i0bA (A:)
iiiatkngkvrgmqltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkyan
sccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgts
slhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqknia
afggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnrt
lnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdmp
dillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvse
fgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfeh
rssklpwpewmgvmhgyeiefvfglplerrdqytkaeeilsrsivkrwanfakygnpqet
qnqstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkv