PDB entry 3upm

View 3upm on RCSB PDB site
Description: Crystal Structure of PTE mutant H254Q/H257F/K185R/I274N
Class: hydrolase
Keywords: metalloenzyme, TIM barrel, nerve agents, phosphotriesterase, HYDROLASE
Deposited on 2011-11-18, released 2012-08-01
The last revision prior to the SCOPe 2.02 freeze date was dated 2012-10-03, with a file datestamp of 2012-09-28.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.201
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Parathion hydrolase
    Species: Brevundimonas diminuta [TaxId:293]
    Gene: OPD
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A434 (0-326)
      • engineered mutation (150)
      • engineered mutation (219)
      • engineered mutation (222)
      • engineered mutation (239)
    Domains in SCOPe 2.02: d3upma_
  • Chain 'B':
    Compound: Parathion hydrolase
    Species: Brevundimonas diminuta [TaxId:293]
    Gene: OPD
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A434 (Start-326)
      • engineered mutation (150)
      • engineered mutation (219)
      • engineered mutation (222)
      • engineered mutation (239)
    Domains in SCOPe 2.02: d3upmb_
  • Heterogens: CO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3upmA (A:)
drintvrgpitiseagftlthehicgssagflrawpeffgsrkalaekavrglrraraag
vrtivdvstfdigrdvsllaevsraadvhivaatglwfdpplsmrlrsveeltqfflrei
qygiedtgiragiikvattgkatpfqelvlraaaraslatgvpvtthtaasqrdgeqqaa
ifeseglspsrvcighsddtddlsyltalaargyligldqipfsaiglednasasallgn
rswqtrallikalidqgymkqilvsndwlfgfssyvtnimdvmdrvnpdgmafiplrvip
flrekgvpqetlagitvtnparflspt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3upmB (B:)
drintvrgpitiseagftlthehicgssagflrawpeffgsrkalaekavrglrraraag
vrtivdvstfdigrdvsllaevsraadvhivaatglwfdpplsmrlrsveeltqfflrei
qygiedtgiragiikvattgkatpfqelvlraaaraslatgvpvtthtaasqrdgeqqaa
ifeseglspsrvcighsddtddlsyltalaargyligldqipfsaiglednasasallgn
rswqtrallikalidqgymkqilvsndwlfgfssyvtnimdvmdrvnpdgmafiplrvip
flrekgvpqetlagitvtnparflspt

    Sequence, based on observed residues (ATOM records): (download) 
    >3upmB (B:)
rintvrgpitiseagftlthehicgssagflrawpeffgsrkalaekavrglrraraagv
rtivdvstfdigrdvsllaevsraadvhivaatglwfdpplsmrlrsveeltqfflreiq
ygiedtgiragiikvattgkatpfqelvlraaaraslatgvpvtthtaasqrdgeqqaai
feseglspsrvcighsddtddlsyltalaargyligldqipfsaisasallgnrswqtra
llikalidqgymkqilvsndwlfgfssyvtnimdvmdrvnpdgmafiplrvipflrekgv
pqetlagitvtnparflspt