PDB entry 5nn0

View 5nn0 on RCSB PDB site
Description: Crystal structure of huBChE with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide.
Class: hydrolase
Keywords: butyrylcholinesterase AD alzheimer disease inhibitor, hydrolase
Deposited on 2017-04-07, released 2018-03-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-03-14, with a file datestamp of 2018-03-09.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.28 (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)
    Domains in SCOPe 2.07: d5nn0a_
  • Heterogens: NAG, FUC, GOL, SO4, CL, MES, 92H, 1PG, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5nn0A (A:)
eddiiiatkngkvrgmqltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatk
yansccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqt
gtsslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqk
niaafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyear
nrtlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdflt
dmpdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpg
vsefgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyy
fehrssklpwpewmgvmhgyeiefvfglplerrdqytkaeeilsrsivkrwanfakygnp
qetqnnstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkv

    Sequence, based on observed residues (ATOM records): (download) 
    >5nn0A (A:)
diiiatkngkvrgmqltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkya
nsccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgt
sslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqkni
aafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnr
tlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdm
pdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvs
efgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfe
hrssklpwpewmgvmhgyeiefvfglplerrdqytkaeeilsrsivkrwanfakygnpqe
tqnnstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkv