PDB entry 3a9r

View 3a9r on RCSB PDB site
Description: X-ray Structures of Bacillus pallidus D-Arabinose IsomeraseComplex with (4R)-2-METHYLPENTANE-2,4-DIOL
Class: isomerase
Keywords: ROSSMANN FOLD, BETA BARREL, Carbohydrate metabolism, Cytoplasm, Fucose metabolism, Isomerase, Manganese, Metal-binding
Deposited on 2009-11-05, released 2010-04-07
The last revision prior to the SCOPe 2.05 freeze date was dated 2010-04-07, with a file datestamp of 2010-04-02.
Experiment type: XRAY
Resolution: 1.77 Å
R-factor: 0.178
AEROSPACI score: 0.53 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: D-arabinose isomerase
    Species: Geobacillus pallidus [TaxId:33936]
    Gene: dai
    Database cross-references and differences (RAF-indexed):
    • Uniprot C0SSE7
      • engineered (224)
      • engineered (588-589)
    Domains in SCOPe 2.05: d3a9ra1, d3a9ra2
  • Chain 'B':
    Compound: D-arabinose isomerase
    Species: Geobacillus pallidus [TaxId:33936]
    Gene: dai
    Database cross-references and differences (RAF-indexed):
    • Uniprot C0SSE7
      • engineered (224)
      • engineered (588-589)
    Domains in SCOPe 2.05: d3a9rb1, d3a9rb2
  • Chain 'C':
    Compound: D-arabinose isomerase
    Species: Geobacillus pallidus [TaxId:33936]
    Gene: dai
    Database cross-references and differences (RAF-indexed):
    • Uniprot C0SSE7
      • engineered (224)
      • engineered (588-589)
    Domains in SCOPe 2.05: d3a9rc1, d3a9rc2
  • Heterogens: MRD, MN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3a9rA (A:)
    makdpryvgnlpkigirptidgrrkgvresleettmnmakavaklleenvfyyngqpvec
    viadtciggvkeaaeaaekfaregvgvsitvtpcwcygtetmdmdphipkavwgfngter
    pgavylaavlagynqkglpafgiygkdvqdagdtnipedvkeklirfakaglavammkgk
    sylsigsvsmgiagsvvqedffqnylgmrneyvdmsefvrrielgiydkeeyeralkwvk
    enckvgpdnnrdgfkrteeqkekdweisvkmaliardlmvgnkkleemgygeealgrnai
    vagfqgqrqwtdyfpngdfmetilnssfdwngkrapyifatendnlngismlfgylltnt
    aqifadvrtywspeavkrvtgytlegraangiihlinsgaaaldgtgeqtkdgkpvikpy
    yeltdedikkcleatqfrpasteyfrgggystdfltkggmpvtisrlnivkglgpvlqia
    egytvdlpeevhdvldkrtdptwpttwfvpnltgegafkdvysvmnnwganhcsisyghi
    gadlitlasilripvnmhnvpeekifrpdawsmfgtkdlegadyrackklgpiyk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a9rA (A:)
    akdpryvgnlpkigirptidgrrkgvresleettmnmakavaklleenvfyyngqpvecv
    iadtciggvkeaaeaaekfaregvgvsitvtpcwcygtetmdmdphipkavwgfngterp
    gavylaavlagynqkglpafgiygkdvqdagdtnipedvkeklirfakaglavammkgks
    ylsigsvsmgiagsvvqedffqnylgmrneyvdmsefvrrielgiydkeeyeralkwvke
    nckvgpdnnrdgfkrteeqkekdweisvkmaliardlmvgnkkleemgygeealgrnaiv
    agfqgqrqwtdyfpngdfmetilnssfdwngkrapyifatendnlngismlfgylltnta
    qifadvrtywspeavkrvtgytlegraangiihlinsgaaaldgtgeqtkdgkpvikpyy
    eltdedikkcleatqfrpasteyfrgggystdfltkggmpvtisrlnivkglgpvlqiae
    gytvdlpeevhdvldkrtdptwpttwfvpnltgegafkdvysvmnnwganhcsisyghig
    adlitlasilripvnmhnvpeekifrpdawsmfgtkdlegadyrackkl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3a9rB (B:)
    makdpryvgnlpkigirptidgrrkgvresleettmnmakavaklleenvfyyngqpvec
    viadtciggvkeaaeaaekfaregvgvsitvtpcwcygtetmdmdphipkavwgfngter
    pgavylaavlagynqkglpafgiygkdvqdagdtnipedvkeklirfakaglavammkgk
    sylsigsvsmgiagsvvqedffqnylgmrneyvdmsefvrrielgiydkeeyeralkwvk
    enckvgpdnnrdgfkrteeqkekdweisvkmaliardlmvgnkkleemgygeealgrnai
    vagfqgqrqwtdyfpngdfmetilnssfdwngkrapyifatendnlngismlfgylltnt
    aqifadvrtywspeavkrvtgytlegraangiihlinsgaaaldgtgeqtkdgkpvikpy
    yeltdedikkcleatqfrpasteyfrgggystdfltkggmpvtisrlnivkglgpvlqia
    egytvdlpeevhdvldkrtdptwpttwfvpnltgegafkdvysvmnnwganhcsisyghi
    gadlitlasilripvnmhnvpeekifrpdawsmfgtkdlegadyrackklgpiyk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a9rB (B:)
    akdpryvgnlpkigirptidgrrkgvresleettmnmakavaklleenvfyyngqpvecv
    iadtciggvkeaaeaaekfaregvgvsitvtpcwcygtetmdmdphipkavwgfngterp
    gavylaavlagynqkglpafgiygkdvqdagdtnipedvkeklirfakaglavammkgks
    ylsigsvsmgiagsvvqedffqnylgmrneyvdmsefvrrielgiydkeeyeralkwvke
    nckvgpdnnrdgfkrteeqkekdweisvkmaliardlmvgnkkleemgygeealgrnaiv
    agfqgqrqwtdyfpngdfmetilnssfdwngkrapyifatendnlngismlfgylltnta
    qifadvrtywspeavkrvtgytlegraangiihlinsgaaaldgtgeqtkdgkpvikpyy
    eltdedikkcleatqfrpasteyfrgggystdfltkggmpvtisrlnivkglgpvlqiae
    gytvdlpeevhdvldkrtdptwpttwfvpnltgegafkdvysvmnnwganhcsisyghig
    adlitlasilripvnmhnvpeekifrpdawsmfgtkdlegadyrackkl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3a9rC (C:)
    makdpryvgnlpkigirptidgrrkgvresleettmnmakavaklleenvfyyngqpvec
    viadtciggvkeaaeaaekfaregvgvsitvtpcwcygtetmdmdphipkavwgfngter
    pgavylaavlagynqkglpafgiygkdvqdagdtnipedvkeklirfakaglavammkgk
    sylsigsvsmgiagsvvqedffqnylgmrneyvdmsefvrrielgiydkeeyeralkwvk
    enckvgpdnnrdgfkrteeqkekdweisvkmaliardlmvgnkkleemgygeealgrnai
    vagfqgqrqwtdyfpngdfmetilnssfdwngkrapyifatendnlngismlfgylltnt
    aqifadvrtywspeavkrvtgytlegraangiihlinsgaaaldgtgeqtkdgkpvikpy
    yeltdedikkcleatqfrpasteyfrgggystdfltkggmpvtisrlnivkglgpvlqia
    egytvdlpeevhdvldkrtdptwpttwfvpnltgegafkdvysvmnnwganhcsisyghi
    gadlitlasilripvnmhnvpeekifrpdawsmfgtkdlegadyrackklgpiyk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a9rC (C:)
    akdpryvgnlpkigirptidgrrkgvresleettmnmakavaklleenvfyyngqpvecv
    iadtciggvkeaaeaaekfaregvgvsitvtpcwcygtetmdmdphipkavwgfngterp
    gavylaavlagynqkglpafgiygkdvqdagdtnipedvkeklirfakaglavammkgks
    ylsigsvsmgiagsvvqedffqnylgmrneyvdmsefvrrielgiydkeeyeralkwvke
    nckvgpdnnrdgfkrteeqkekdweisvkmaliardlmvgnkkleemgygeealgrnaiv
    agfqgqrqwtdyfpngdfmetilnssfdwngkrapyifatendnlngismlfgylltnta
    qifadvrtywspeavkrvtgytlegraangiihlinsgaaaldgtgeqtkdgkpvikpyy
    eltdedikkcleatqfrpasteyfrgggystdfltkggmpvtisrlnivkglgpvlqiae
    gytvdlpeevhdvldkrtdptwpttwfvpnltgegafkdvysvmnnwganhcsisyghig
    adlitlasilripvnmhnvpeekifrpdawsmfgtkdlegadyrackkl