PDB entry 3ijr

View 3ijr on RCSB PDB site
Description: 2.05 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD+
Class: oxidoreductase
Keywords: Short Chain Dehydrogenase, Structural Genomics, Infectious Diseases, Center for Structural Genomics of Infectious Diseases, Oxidoreductase, CSGID
Deposited on 2009-08-04, released 2009-09-08
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.159
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3ijra_
  • Chain 'B':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3ijrb_
  • Chain 'C':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3ijrc_
  • Chain 'D':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3ijrd_
  • Chain 'E':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3ijre_
  • Chain 'F':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81UV8 (3-290)
      • expression tag (1-2)
    Domains in SCOPe 2.05: d3ijrf_
  • Chain 'G':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3ijrg_
  • Chain 'H':
    Compound: Oxidoreductase, short chain dehydrogenase/reductase family
    Species: Bacillus anthracis str. 'Ames Ancestor' [TaxId:261594]
    Gene: BAS0712, BA_0748, GBAA0748, GBAA_0748
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81UV8 (3-290)
      • expression tag (2)
    Domains in SCOPe 2.05: d3ijrh_
  • Heterogens: NAD, MG, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ijrA (A:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrA (A:)
    vtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigravsiafake
    ganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvrqlgslnilv
    nnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviintasivayegn
    etlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdekkvsqfgsnv
    pmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ijrB (B:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrB (B:)
    nfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigravsiafa
    keganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvrqlgslni
    lvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviintasivaye
    gnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdekkvsqfgs
    nvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ijrC (C:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrC (C:)
    vtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigravsiafake
    ganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvrqlgslnilv
    nnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviintasivayegn
    etlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdekkvsqfgsnv
    pmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3ijrD (D:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrD (D:)
    vtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigravsiafake
    ganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvrqlgslnilv
    nnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviintasivayegn
    etlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdekkvsqfgsnv
    pmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3ijrE (E:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrE (E:)
    tmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigravsiafakeg
    aniaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvrqlgslnilvn
    nvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviintasivayegne
    tlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdekkvsqfgsnvp
    mqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3ijrF (F:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrF (F:)
    nampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigr
    avsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvr
    qlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviint
    asivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdek
    kvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3ijrG (G:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrG (G:)
    vtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigravsiafake
    ganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvrqlgslnilv
    nnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviintasivayegn
    etlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdekkvsqfgsnv
    pmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3ijrH (H:)
    snampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgig
    ravsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetv
    rqlgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviin
    tasivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfde
    kkvsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ijrH (H:)
    ampqqknfvtmpaqhqnkqpgieslmnplpqfedpnykgseklkgknvlitggdsgigra
    vsiafakeganiaiayldeegdanetkqyvekegvkcvllpgdlsdeqhckdivqetvrq
    lgslnilvnnvaqqypqqgleyitaeqlektfrinifsyfhvtkaalshlkqgdviinta
    sivayegnetlidysatkgaivaftrslsqslvqkgirvngvapgpiwtplipssfdekk
    vsqfgsnvpmqrpgqpyelapayvylassdssyvtgqmihvnggvivng