PDB entry 6xta

View 6xta on RCSB PDB site
Description: Recombinant human butyrylcholinesterase in complex with (2S)-N-[2-(1-benzylazepan-4-yl)ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide
Class: hydrolase
Keywords: Butyrylcholinesterase, Inhibitor, Complex, HYDROLASE
Deposited on 2020-01-15, released 2020-10-28
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-10-28, with a file datestamp of 2020-10-23.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.26 (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: d6xtaa_
  • Heterogens: O0Z, NAG, SO4, CL, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >6xtaA (A:)
diiiatkngkvrgmqltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkya
nsccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgt
sslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqkni
aafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnr
tlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdm
pdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvs
efgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfe
hrssklpwpewmgvmhgyeiefvfglplerrdqytkaeeilsrsivkrwanfakygnpqe
tqnqstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkv