PDB entry 1rdf

View 1rdf on RCSB PDB site
Description: G50P mutant of phosphonoacetaldehyde hydrolase in complex with substrate analogue vinyl sulfonate
Class: hydrolase
Keywords: haloacid dehalogenase, specificity loop, phosphonatase, Schiff-base, HYDROLASE
Deposited on 2003-11-05, released 2004-08-31
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.23
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: phosphonoacetaldehyde hydrolase
    Species: Bacillus cereus [TaxId:1396]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O31156 (Start-266)
      • engineered (49)
      • conflict (106)
    Domains in SCOPe 2.07: d1rdfa_
  • Chain 'B':
    Compound: phosphonoacetaldehyde hydrolase
    Species: Bacillus cereus [TaxId:1396]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O31156 (Start-266)
      • engineered (49)
      • conflict (106)
    Domains in SCOPe 2.07: d1rdfb_
  • Chain 'C':
    Compound: phosphonoacetaldehyde hydrolase
    Species: Bacillus cereus [TaxId:1396]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O31156 (Start-266)
      • engineered (49)
      • conflict (106)
    Domains in SCOPe 2.07: d1rdfc_
  • Chain 'D':
    Compound: phosphonoacetaldehyde hydrolase
    Species: Bacillus cereus [TaxId:1396]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O31156 (Start-266)
      • engineered (49)
      • conflict (106)
    Domains in SCOPe 2.07: d1rdfd_
  • Chain 'E':
    Compound: phosphonoacetaldehyde hydrolase
    Species: Bacillus cereus [TaxId:1396]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O31156 (Start-266)
      • engineered (49)
      • conflict (106)
    Domains in SCOPe 2.07: d1rdfe_
  • Chain 'F':
    Compound: phosphonoacetaldehyde hydrolase
    Species: Bacillus cereus [TaxId:1396]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O31156 (Start-266)
      • engineered (49)
      • conflict (106)
    Domains in SCOPe 2.07: d1rdff_
  • Heterogens: MG, ESA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1rdfA (A:)
    mdrmkieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvral
    tempriasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergi
    kigsttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnh
    mikvgdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfven
    gahftietmqelesvmehiekqeliis
    

    Sequence, based on observed residues (ATOM records): (download)
    >1rdfA (A:)
    kieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvraltemp
    riasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergikigs
    ttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnhmikv
    gdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfvengahf
    tietmqelesvmehiekqeliis
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1rdfB (B:)
    mdrmkieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvral
    tempriasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergi
    kigsttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnh
    mikvgdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfven
    gahftietmqelesvmehiekqeliis
    

    Sequence, based on observed residues (ATOM records): (download)
    >1rdfB (B:)
    kieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvraltemp
    riasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergikigs
    ttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnhmikv
    gdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfvengahf
    tietmqelesvmehiekqeliis
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >1rdfC (C:)
    mdrmkieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvral
    tempriasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergi
    kigsttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnh
    mikvgdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfven
    gahftietmqelesvmehiekqeliis
    

    Sequence, based on observed residues (ATOM records): (download)
    >1rdfC (C:)
    kieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvraltemp
    riasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergikigs
    ttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnhmikv
    gdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfvengahf
    tietmqelesvmehiekqeliis
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >1rdfD (D:)
    mdrmkieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvral
    tempriasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergi
    kigsttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnh
    mikvgdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfven
    gahftietmqelesvmehiekqeliis
    

    Sequence, based on observed residues (ATOM records): (download)
    >1rdfD (D:)
    kieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvraltemp
    riasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergikigs
    ttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnhmikv
    gdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfvengahf
    tietmqelesvmehiekqeliis
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >1rdfE (E:)
    mdrmkieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvral
    tempriasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergi
    kigsttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnh
    mikvgdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfven
    gahftietmqelesvmehiekqeliis
    

    Sequence, based on observed residues (ATOM records): (download)
    >1rdfE (E:)
    kieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvraltemp
    riasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergikigs
    ttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnhmikv
    gdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfvengahf
    tietmqelesvmehiekqeliis
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >1rdfF (F:)
    mdrmkieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvral
    tempriasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergi
    kigsttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnh
    mikvgdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfven
    gahftietmqelesvmehiekqeliis
    

    Sequence, based on observed residues (ATOM records): (download)
    >1rdfF (F:)
    kieavifdwagttvdygcfaplevfmeifhkrgvaitaeearkpmpllkidhvraltemp
    riasewnrvfrqlpteadiqemyeefeeilfailpryaspinavkeviaslrergikigs
    ttgytremmdivakeaalqgykpdflvtpddvpagrpypwmcyknamelgvypmnhmikv
    gdtvsdmkegrnagmwtvgvilgsselglteeevenmdsvelrekievvrnrfvengahf
    tietmqelesvmehiekqeliis