PDB entry 2a3b

View 2a3b on RCSB PDB site
Description: Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine
Class: hydrolase
Keywords: (beta-alpha)8 barrel, chitinase-caffeine complex, HYDROLASE
Deposited on 2005-06-24, released 2005-09-27
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.176
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: chitinase
    Species: Aspergillus fumigatus [TaxId:5085]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2a3ba1, d2a3ba2
  • Chain 'B':
    Compound: chitinase
    Species: Aspergillus fumigatus [TaxId:5085]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2a3bb1, d2a3bb2
  • Heterogens: SO4, CFF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2a3bA (A:)
    mrfatstivkvalllsslcvdaavmwnrdtsstdlearassgyrsvvyfvnwaiygrnhn
    pqdlpverlthvlyafanvrpetgevymtdswadiekhypgdswsdtgnnvygcikqlyl
    lkkqnrnlkvllsiggwtyspnfapaastdagrknfaktavkllqdlgfdgldidweype
    ndqqandfvlllkevrtaldsysaanaggqhflltvaspagpdkikvlhlkdmdqqldfw
    nlmaydyagsfsslsghqanvyndtsnplstpfntqtaldlyraggvpankivlgmplyg
    rsfantdgpgkpyngvgqgswengvwdykalpqagatehvlpdimasysydatnkflisy
    dnpqvanlksgyikslglggamwwdsssdktgsdslittvvnalggtgvfeqsqneldyp
    vsqydnlrngmqt
    

    Sequence, based on observed residues (ATOM records): (download)
    >2a3bA (A:)
    assgyrsvvyfvnwaiygrnhnpqdlpverlthvlyafanvrpetgevymtdswadiekh
    ypgdswsdtgnnvygcikqlyllkkqnrnlkvllsiggwtyspnfapaastdagrknfak
    tavkllqdlgfdgldidweypendqqandfvlllkevrtaldsysaanaggqhflltvas
    pagpdkikvlhlkdmdqqldfwnlmaydyagsfsslsghqanvyndtsnplstpfntqta
    ldlyraggvpankivlgmplygrsfantdgpgkpyngvgqgswengvwdykalpqagate
    hvlpdimasysydatnkflisydnpqvanlksgyikslglggamwwdsssdktgsdslit
    tvvnalggtgvfeqsqneldypvsqydnlrngmq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2a3bB (B:)
    mrfatstivkvalllsslcvdaavmwnrdtsstdlearassgyrsvvyfvnwaiygrnhn
    pqdlpverlthvlyafanvrpetgevymtdswadiekhypgdswsdtgnnvygcikqlyl
    lkkqnrnlkvllsiggwtyspnfapaastdagrknfaktavkllqdlgfdgldidweype
    ndqqandfvlllkevrtaldsysaanaggqhflltvaspagpdkikvlhlkdmdqqldfw
    nlmaydyagsfsslsghqanvyndtsnplstpfntqtaldlyraggvpankivlgmplyg
    rsfantdgpgkpyngvgqgswengvwdykalpqagatehvlpdimasysydatnkflisy
    dnpqvanlksgyikslglggamwwdsssdktgsdslittvvnalggtgvfeqsqneldyp
    vsqydnlrngmqt
    

    Sequence, based on observed residues (ATOM records): (download)
    >2a3bB (B:)
    assgyrsvvyfvnwaiygrnhnpqdlpverlthvlyafanvrpetgevymtdswadiekh
    ypgdswsdtgnnvygcikqlyllkkqnrnlkvllsiggwtyspnfapaastdagrknfak
    tavkllqdlgfdgldidweypendqqandfvlllkevrtaldsysaanaggqhflltvas
    pagpdkikvlhlkdmdqqldfwnlmaydyagsfsslsghqanvyndtsnplstpfntqta
    ldlyraggvpankivlgmplygrsfantdgpgkpyngvgqgswengvwdykalpqagate
    hvlpdimasysydatnkflisydnpqvanlksgyikslglggamwwdsssdktgsdslit
    tvvnalggtgvfeqsqneldypvsqydnlrngmq