PDB entry 3qyp

View 3qyp on RCSB PDB site
Description: Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with calcium and phosphate
Class: hydrolase
Keywords: hydrolase, pyrophosphatase, magnesium binding site, new york sgx research center for structural genomics, nysgx enzyme function initiative, efi, psi-2, protein structure initiative, nysgxrc
Deposited on 2011-03-03, released 2011-04-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-11-16, with a file datestamp of 2011-11-11.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.186
AEROSPACI score: 0.59 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: inorganic pyrophosphatase
    Species: Bacteroides thetaiotaomicron [TaxId:818]
    Gene: BT_2127
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8A5V9 (Start-242)
      • engineered mutation (65)
    Domains in SCOPe 2.07: d3qypa_
  • Chain 'B':
    Compound: inorganic pyrophosphatase
    Species: Bacteroides thetaiotaomicron [TaxId:818]
    Gene: BT_2127
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8A5V9 (19-242)
      • expression tag (15-18)
      • engineered mutation (65)
    Domains in SCOPe 2.07: d3qypb1, d3qypb2
  • Heterogens: PO4, CA, CL, GOL, UNL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3qypA (A:)
    gsshhhhhhssglvprgshmrkklkavlfdmdgvlfnsmpyhseawhqvmkthgldlsre
    eaymhngrtgastinivfqrelgkeatqeeiesiyheksilfnsypeaermpgawellqk
    vksegltpmvvtgsgqlsllerlehnfpgmfhkelmvtafdvkygkpnpepylmalkkgg
    lkadeavvienaplgveaghkagiftiavntgpldgqvlldagadllfpsmqtlcdswdt
    iml
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qypA (A:)
    klkavlfdmdgvlfnsmpyhseawhqvmkthgldlsreeaymhngrtgastinivfqrel
    gkeatqeeiesiyheksilfnsypeaermpgawellqkvksegltpmvvtgsgqlsller
    lehnfpgmfhkelmvtafdvkygkpnpepylmalkkgglkadeavvienaplgveaghka
    giftiavntgpldgqvlldagadllfpsmqtlcdswdtiml
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3qypB (B:)
    gsshhhhhhssglvprgshmrkklkavlfdmdgvlfnsmpyhseawhqvmkthgldlsre
    eaymhngrtgastinivfqrelgkeatqeeiesiyheksilfnsypeaermpgawellqk
    vksegltpmvvtgsgqlsllerlehnfpgmfhkelmvtafdvkygkpnpepylmalkkgg
    lkadeavvienaplgveaghkagiftiavntgpldgqvlldagadllfpsmqtlcdswdt
    iml
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qypB (B:)
    rgshmrkklkavlfdmdgvlfnsmpyhseawhqvmkthgldlsreeaymhngrtgastin
    ivfqrelgkeatqeeiesiyheksilfnsypeaermpgawellqkvksegltpmvvtgsg
    qlsllerlehnfpgmfhkelmvtafdvkygkpnpepylmalkkgglkadeavvienaplg
    veaghkagiftiavntgpldgqvlldagadllfpsmqtlcdswdtiml