PDB entry 3urb

View 3urb on RCSB PDB site
Description: Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H
Class: hydrolase
Keywords: metalloenzyme, TIM barrel, nerve agents, phosphotriesterase, HYDROLASE
Deposited on 2011-11-21, 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: 1.77 Å
R-factor: 0.216
AEROSPACI score: 0.49 (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 (Start-326)
      • engineered mutation (32)
      • engineered mutation (45)
      • engineered mutation (71)
      • engineered mutation (97)
      • engineered mutation (150)
      • engineered mutation (219)
      • engineered mutation (222)
      • engineered mutation (236)
      • engineered mutation (239)
      • engineered mutation (268)
      • engineered mutation (282)
    Domains in SCOPe 2.02: d3urba_
  • Chain 'B':
    Compound: Parathion hydrolase
    Species: Brevundimonas diminuta [TaxId:293]
    Gene: OPD
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A434 (0-326)
      • engineered mutation (32)
      • engineered mutation (45)
      • engineered mutation (71)
      • engineered mutation (97)
      • engineered mutation (150)
      • engineered mutation (219)
      • engineered mutation (222)
      • engineered mutation (236)
      • engineered mutation (239)
      • engineered mutation (268)
      • engineered mutation (282)
    Domains in SCOPe 2.02: d3urbb_
  • Heterogens: IMD, DPF, CO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3urbA (A:)
drintvrgpitiseagftlthehicgssagflhawpeffgsrkalvekavrglrraraag
vrtivdvstfdcgrdvsllaevsraadvhivaatglwidpplsmrlrsveeltqfflrei
qygiedtgiragiikvattgkatpfqelvlraaaraslatgvpvtthtaasqrdgeqqaa
ifeseglspsrvcighsddtddlsyltalaargyligldgipwsaiglednasasailgn
rswqtrallikalidqgymkqilvsndwtfgfssyvtnimdvldrvnpdgmafiplrvip
flrekgvpqetlagitvtnparflspt

    Sequence, based on observed residues (ATOM records): (download) 
    >3urbA (A:)
rintvrgpitiseagftlthehicgssagflhawpeffgsrkalvekavrglrraraagv
rtivdvstfdcgrdvsllaevsraadvhivaatglwidpplsmrlrsveeltqfflreiq
ygiedtgiragiikvattgkatpfqelvlraaaraslatgvpvtthtaasqrdgeqqaai
feseglspsrvcighsddtddlsyltalaargyligldgipwsanasasailgnrswqtr
allikalidqgymkqilvsndwtfgfssyvtnimdvldrvnpdgmafiplrvipflrekg
vpqetlagitvtnparflspt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3urbB (B:)
drintvrgpitiseagftlthehicgssagflhawpeffgsrkalvekavrglrraraag
vrtivdvstfdcgrdvsllaevsraadvhivaatglwidpplsmrlrsveeltqfflrei
qygiedtgiragiikvattgkatpfqelvlraaaraslatgvpvtthtaasqrdgeqqaa
ifeseglspsrvcighsddtddlsyltalaargyligldgipwsaiglednasasailgn
rswqtrallikalidqgymkqilvsndwtfgfssyvtnimdvldrvnpdgmafiplrvip
flrekgvpqetlagitvtnparflspt

    Sequence, based on observed residues (ATOM records): (download) 
    >3urbB (B:)
drintvrgpitiseagftlthehicgssagflhawpeffgsrkalvekavrglrraraag
vrtivdvstfdcgrdvsllaevsraadvhivaatglwidpplsmrlrsveeltqfflrei
qygiedtgiragiikvattgkatpfqelvlraaaraslatgvpvtthtaasqrdgeqqaa
ifeseglspsrvcighsddtddlsyltalaargyligldgipwsainasasailgnrswq
trallikalidqgymkqilvsndwtfgfssyvtnimdvldrvnpdgmafiplrvipflre
kgvpqetlagitvtnparflspt