PDB entry 4xii

View 4xii on RCSB PDB site
Description: X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
Class: hydrolase
Keywords: anti-alzherimer, huBuche, human butyrylcholinesterase, metal chelator, abeta peptide, ab aggregation, hydrolase
Deposited on 2015-01-07, released 2015-07-08
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-08-05, with a file datestamp of 2015-07-31.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.18 (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): Domains in SCOPe 2.06: d4xiia_
  • Chain 'B':
    Compound: cholinesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: BCHE, CHE1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4xiib_
  • Heterogens: 40V, NAG, FUL, FUC, CL, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4xiiA (A:)
    eddiiiatkngkvrgmnltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatk
    yansccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqt
    gtsslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqk
    niaafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyear
    nrtlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdflt
    dmpdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpg
    vsefgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyy
    fehrssklpwpewmgvmhgyeiefvfglplerrdnytkaeeilsrsivkrwanfakygnp
    netqnnstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkvlemtgnideae
    wewk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4xiiA (A:)
    diiiatkngkvrgmnltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkya
    nsccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgt
    sslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqkni
    aafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnr
    tlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdm
    pdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvs
    efgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfe
    hrssklpwpewmgvmhgyeiefvfglplerrdnytkaeeilsrsivkrwanfakygnpne
    tqnnstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkvl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4xiiB (B:)
    eddiiiatkngkvrgmnltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatk
    yansccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqt
    gtsslhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqk
    niaafggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyear
    nrtlnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdflt
    dmpdillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpg
    vsefgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyy
    fehrssklpwpewmgvmhgyeiefvfglplerrdnytkaeeilsrsivkrwanfakygnp
    netqnnstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkvlemtgnideae
    wewk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4xiiB (B:)
    iiiatkngkvrgmnltvfggtvtaflgipyaqpplgrlrfkkpqsltkwsdiwnatkyan
    sccqnidqsfpgfhgsemwnpntdlsedclylnvwipapkpknatvliwiygggfqtgts
    slhvydgkflarvervivvsmnyrvgalgflalpgnpeapgnmglfdqqlalqwvqknia
    afggnpksvtlfgesagaasvslhllspgshslftrailqsgsfnapwavtslyearnrt
    lnlakltgcsreneteiikclrnkdpqeillneafvvpygtplsvnfgptvdgdfltdmp
    dillelgqfkktqilvgvnkdegtaflvygapgfskdnnsiitrkefqeglkiffpgvse
    fgkesilfhytdwvddqrpenyrealgdvvgdynficpaleftkkfsewgnnaffyyfeh
    rssklpwpewmgvmhgyeiefvfglplerrdnytkaeeilsrsivkrwanfakygnpnet
    nstswpvfksteqkyltlntestrimtklraqqcrfwtsffpkvl