PDB entry 3i2g

View 3i2g on RCSB PDB site
Description: Cocaine Esterase with mutation G173Q, bound to DTT adduct
Class: hydrolase
Keywords: alpha/beta hydrolase, Hydrolase
Deposited on 2009-06-29, released 2010-06-16
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.163
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cocaine esterase
    Species: Rhodococcus sp. MB1 'Bresler 1999' [TaxId:104109]
    Gene: Cocaine Esterase, cocE
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L9D7 (Start-573)
      • engineered (172)
      • expression tag (574)
    Domains in SCOPe 2.04: d3i2ga1, d3i2ga2
  • Heterogens: CL, DBC, GOL, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3i2gA (A:)
    mvdgnysvasnvmvpmrdgvrlavdlyrpdadgpvpvllvrnpydkfdvfawstqstnwl
    efvrdgyavviqdtrglfasegefvphvddeadaedtlswileqawcdgnvgmfgvsylg
    vtqwqaavsgvgglkaiapsmasadlyrapwygpggalsveallgwsaligtqlitsrsd
    arpedaadfvqlaailndvagaasvtplaeqpllgrlipwvidqvvdhpdndeswqsisl
    ferlgglatpalitagwydgfvgeslrtfvavkdnadarlvvgpwshsnltgrnadrkfg
    iaatypiqeattmhkaffdrhlrgetdalagvpkvrlfvmgidewrdetdwplpdtaytp
    fylggsgaantstgggtlstsisgtesadtylydpadpvpslggtllfhngdngpadqrp
    ihdrddvlcystevltdpvevtgtvsarlfvsssavdtdftaklvdvfpdgraialcdgi
    vrmryretlvnptlieageiyevaidmlatsnvflpghrimvqvsssnfpkydrnsntgg
    viareqleemctavnrihrgpehpshivlpiikrklaaalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3i2gA (A:)
    vdgnysvasnvmvpmrdgvrlavdlyrpdadgpvpvllvrnpydkfdvfawstqstnwle
    fvrdgyavviqdtrglfasegefvphvddeadaedtlswileqawcdgnvgmfgvsylgv
    tqwqaavsgvgglkaiapsmasadlyrapwygpggalsveallgwsaligtqlitsrsda
    rpedaadfvqlaailndvagaasvtplaeqpllgrlipwvidqvvdhpdndeswqsislf
    erlgglatpalitagwydgfvgeslrtfvavkdnadarlvvgpwshsnltgrnadrkfgi
    aatypiqeattmhkaffdrhlrgetdalagvpkvrlfvmgidewrdetdwplpdtaytpf
    ylggsgaantstgggtlstsisgtesadtylydpadpvpslggtllfhngdngpadqrpi
    hdrddvlcystevltdpvevtgtvsarlfvsssavdtdftaklvdvfpdgraialcdgiv
    rmryretlvnptlieageiyevaidmlatsnvflpghrimvqvsssnfpkydrnsntggv
    iareqleemctavnrihrgpehpshivlpiikrk