PDB entry 3i2f

View 3i2f on RCSB PDB site
Description: Cocaine Esterase with mutations T172R / 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: 0.173
AEROSPACI score: 0.37 (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 (171-172)
    Domains in SCOPe 2.04: d3i2fa1, d3i2fa2
  • Heterogens: CL, DBC, GOL, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3i2fA (A:)
mvdgnysvasnvmvpmrdgvrlavdlyrpdadgpvpvllvrnpydkfdvfawstqstnwl
efvrdgyavviqdtrglfasegefvphvddeadaedtlswileqawcdgnvgmfgvsylg
vtqwqaavsgvgglkaiapsmasadlyrapwygpggalsveallgwsaligrqlitsrsd
arpedaadfvqlaailndvagaasvtplaeqpllgrlipwvidqvvdhpdndeswqsisl
ferlgglatpalitagwydgfvgeslrtfvavkdnadarlvvgpwshsnltgrnadrkfg
iaatypiqeattmhkaffdrhlrgetdalagvpkvrlfvmgidewrdetdwplpdtaytp
fylggsgaantstgggtlstsisgtesadtylydpadpvpslggtllfhngdngpadqrp
ihdrddvlcystevltdpvevtgtvsarlfvsssavdtdftaklvdvfpdgraialcdgi
vrmryretlvnptlieageiyevaidmlatsnvflpghrimvqvsssnfpkydrnsntgg
viareqleemctavnrihrgpehpshivlpiikrklaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3i2fA (A:)
vdgnysvasnvmvpmrdgvrlavdlyrpdadgpvpvllvrnpydkfdvfawstqstnwle
fvrdgyavviqdtrglfasegefvphvddeadaedtlswileqawcdgnvgmfgvsylgv
tqwqaavsgvgglkaiapsmasadlyrapwygpggalsveallgwsaligrqlitsrsda
rpedaadfvqlaailndvagaasvtplaeqpllgrlipwvidqvvdhpdndeswqsislf
erlgglatpalitagwydgfvgeslrtfvavkdnadarlvvgpwshsnltgrnadrkfgi
aatypiqeattmhkaffdrhlrgetdalagvpkvrlfvmgidewrdetdwplpdtaytpf
ylggsgaantstgggtlstsisgtesadtylydpadpvpslggtllfhngdngpadqrpi
hdrddvlcystevltdpvevtgtvsarlfvsssavdtdftaklvdvfpdgraialcdgiv
rmryretlvnptlieageiyevaidmlatsnvflpghrimvqvsssnfpkydrnsntggv
iareqleemctavnrihrgpehpshivlpiikr