PDB entry 3pui

View 3pui on RCSB PDB site
Description: Cocaine Esterase with mutations G4C, S10C
Class: hydrolase
Keywords: alpha/beta hydrolase, jelly-roll beta-barrel, Cleavage of cocaine, HYDROLASE
Deposited on 2010-12-04, released 2011-09-21
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-06-26, with a file datestamp of 2013-06-21.
Experiment type: XRAY
Resolution: 1.53 Å
R-factor: 0.156
AEROSPACI score: 0.64 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cocaine esterase
    Species: Rhodococcus sp. [TaxId:104109]
    Gene: cocE
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L9D7 (Start-573)
      • engineered mutation (3)
      • engineered mutation (9)
      • expression tag (574-575)
    Domains in SCOPe 2.04: d3puia1, d3puia2
  • Heterogens: CL, NA, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >3puiA (A:)
    dcnysvacnvmvpmrdgvrlavdlyrpdadgpvpvllvrnpydkfdvfawstqstnwlef
    vrdgyavviqdtrglfasegefvphvddeadaedtlswileqawcdgnvgmfgvsylgvt
    qwqaavsgvgglkaiapsmasadlyrapwygpggalsveallgwsaligtglitsrsdar
    pedaadfvqlaailndvagaasvtplaeqpllgrlipwvidqvvdhpdndeswqsislfe
    rlgglatpalitagwydgfvgeslrtfvavkdnadarlvvgpwshsnltgrnadrkfgia
    atypiqeattmhkaffdrhlrgetdalagvpkvrlfvmgidewrdetdwplpdtaytpfy
    lggsgaantstgggtlstsisgtesadtylydpadpvpslggtllfhngdngpadqrpih
    drddvlcystevltdpvevtgtvsarlfvsssavdtdftaklvdvfpdgraialcdgivr
    mryretlvnptlieageiyevaidmlatsnvflpghrimvqvsssnfpkydrnsntggvi
    areqleemctavnrihrgpehpshivlpiikrkl