PDB entry 3che

View 3che on RCSB PDB site
Description: Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide
Class: hydrolase/hydrolase inhibitor
Keywords: (beta-alpha)8 barrel, chitinase, peptide inhibitors, Glycosidase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2008-03-09, released 2008-03-25
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.172
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: chitinase
    Species: Aspergillus fumigatus [TaxId:5085]
    Gene: chiB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3chea1, d3chea2
  • Chain 'B':
    Compound: chitinase
    Species: Aspergillus fumigatus [TaxId:5085]
    Gene: chiB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3cheb1, d3cheb2
  • Chain 'C':
    Compound: peptide inhibitor
    Database cross-references and differences (RAF-indexed):
    • PDB 3CHE (Start-2)
  • Chain 'D':
    Compound: peptide inhibitor
    Database cross-references and differences (RAF-indexed):
    • PDB 3CHE (Start-2)
  • Heterogens: SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3cheA (A:)
    mrfatstivkvalllsslcvdaavmwnrdtsstdlearassgyrsvvyfvnwaiygrnhn
    pqdlpverlthvlyafanvrpetgevymtdswadiekhypgdswsdtgnnvygcikqlyl
    lkkqnrnlkvllsiggwtyspnfapaastdagrknfaktavkllqdlgfdgldidweype
    ndqqandfvlllkevrtaldsysaanaggqhflltvaspagpdkikvlhlkdmdqqldfw
    nlmaydyagsfsslsghqanvyndtsnplstpfntqtaldlyraggvpankivlgmplyg
    rsfantdgpgkpyngvgqgswengvwdykalpqagatehvlpdimasysydatnkflisy
    dnpqvanlksgyikslglggamwwdsssdktgsdslittvvnalggtgvfeqsqneldyp
    vsqydnlrngmqt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3cheA (A:)
    assgyrsvvyfvnwaiygrnhnpqdlpverlthvlyafanvrpetgevymtdswadiekh
    ypgdswsdtgnnvygcikqlyllkkqnrnlkvllsiggwtyspnfapaastdagrknfak
    tavkllqdlgfdgldidweypendqqandfvlllkevrtaldsysaanaggqhflltvas
    pagpdkikvlhlkdmdqqldfwnlmaydyagsfsslsghqanvyndtsnplstpfntqta
    ldlyraggvpankivlgmplygrsfantdgpgkpyngvgqgswengvwdykalpqagate
    hvlpdimasysydatnkflisydnpqvanlksgyikslglggamwwdsssdktgsdslit
    tvvnalggtgvfeqsqneldypvsqydnlrngmqt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3cheB (B:)
    mrfatstivkvalllsslcvdaavmwnrdtsstdlearassgyrsvvyfvnwaiygrnhn
    pqdlpverlthvlyafanvrpetgevymtdswadiekhypgdswsdtgnnvygcikqlyl
    lkkqnrnlkvllsiggwtyspnfapaastdagrknfaktavkllqdlgfdgldidweype
    ndqqandfvlllkevrtaldsysaanaggqhflltvaspagpdkikvlhlkdmdqqldfw
    nlmaydyagsfsslsghqanvyndtsnplstpfntqtaldlyraggvpankivlgmplyg
    rsfantdgpgkpyngvgqgswengvwdykalpqagatehvlpdimasysydatnkflisy
    dnpqvanlksgyikslglggamwwdsssdktgsdslittvvnalggtgvfeqsqneldyp
    vsqydnlrngmqt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3cheB (B:)
    assgyrsvvyfvnwaiygrnhnpqdlpverlthvlyafanvrpetgevymtdswadiekh
    ypgdswsdtgnnvygcikqlyllkkqnrnlkvllsiggwtyspnfapaastdagrknfak
    tavkllqdlgfdgldidweypendqqandfvlllkevrtaldsysaanaggqhflltvas
    pagpdkikvlhlkdmdqqldfwnlmaydyagsfsslsghqanvyndtsnplstpfntqta
    ldlyraggvpankivlgmplygrsfantdgpgkpyngvgqgswengvwdykalpqagate
    hvlpdimasysydatnkflisydnpqvanlksgyikslglggamwwdsssdktgsdslit
    tvvnalggtgvfeqsqneldypvsqydnlrngmq
    

  • Chain 'C':
    No sequence available.

  • Chain 'D':
    No sequence available.