PDB entry 3twb

View 3twb on RCSB PDB site
Description: Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109 complexed with magnesium and gluconic acid
Class: lyase
Keywords: enolase, magnesium binding site, lyase
Deposited on 2011-09-21, released 2011-10-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-03-07, with a file datestamp of 2012-03-02.
Experiment type: XRAY
Resolution: 1.76 Å
R-factor: 0.171
AEROSPACI score: 0.54 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Putative dehydratase
    Species: Salmonella enterica subsp. enterica serovar Enteritidis [TaxId:550537]
    Gene: SEN1436
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3twba1, d3twba2
  • Chain 'B':
    Compound: Putative dehydratase
    Species: Salmonella enterica subsp. enterica serovar Enteritidis [TaxId:550537]
    Gene: SEN1436
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3twbb1, d3twbb2
  • Chain 'C':
    Compound: Putative dehydratase
    Species: Salmonella enterica subsp. enterica serovar Enteritidis [TaxId:550537]
    Gene: SEN1436
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3twbc1, d3twbc2
  • Chain 'D':
    Compound: Putative dehydratase
    Species: Salmonella enterica subsp. enterica serovar Enteritidis [TaxId:550537]
    Gene: SEN1436
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3twbd1, d3twbd2
  • Chain 'E':
    Compound: Putative dehydratase
    Species: Salmonella enterica subsp. enterica serovar Enteritidis [TaxId:550537]
    Gene: SEN1436
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3twbe1, d3twbe2
  • Heterogens: MG, GOL, CL, GCO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3twbA (A:)
    mhhhhhhssgvdlgtenlyfqsmmkvsnlkitnvktiltapggidlavvkietnepglyg
    lgcatftqrifavksaideymapflvgkdptriediwqsgvvsgywrngpimnnalsgvd
    malwdikgklagmpvydllggkcrdgiplychtdggdevevednirarmeegyqyvrcqm
    gmyggagtddlkliatqlarakniqpkrsprsktpgiyfdpdayaksvprlfdhlrnklg
    fgiefihdvhervtpvtainlaktleqyqlfyledpvapenidwlkmlrqqsstpismge
    lfvnvnewkplidnrlidyirchvstiggitparklavyselngvrtawhgpgdispvgv
    canmhldlsspnfgiqeytpmndalrdvfpgcpeidhgyaylndkpglgidideakaaky
    pceggipswtmartpdgtasrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3twbA (A:)
    nlkitnvktiltapggidlavvkietnepglyglgcatftqrifavksaideymapflvg
    kdptriediwqsgvvsgywrngpimnnalsgvdmalwdikgklagmpvydllggkcrdgi
    plychtdggdevevednirarmeegyqyvrcqmgmyggagtddlkliatqlarakniqpk
    rsprsktpgiyfdpdayaksvprlfdhlrnklgfgiefihdvhervtpvtainlaktleq
    yqlfyledpvapenidwlkmlrqqsstpismgelfvnvnewkplidnrlidyirchvsti
    ggitparklavyselngvrtawhgpgdispvgvcanmhldlsspnfgiqeytpmndalrd
    vfpgcpeidhgyaylndkpglgidideakaakypceggipswtmartpdgtasrp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3twbB (B:)
    mhhhhhhssgvdlgtenlyfqsmmkvsnlkitnvktiltapggidlavvkietnepglyg
    lgcatftqrifavksaideymapflvgkdptriediwqsgvvsgywrngpimnnalsgvd
    malwdikgklagmpvydllggkcrdgiplychtdggdevevednirarmeegyqyvrcqm
    gmyggagtddlkliatqlarakniqpkrsprsktpgiyfdpdayaksvprlfdhlrnklg
    fgiefihdvhervtpvtainlaktleqyqlfyledpvapenidwlkmlrqqsstpismge
    lfvnvnewkplidnrlidyirchvstiggitparklavyselngvrtawhgpgdispvgv
    canmhldlsspnfgiqeytpmndalrdvfpgcpeidhgyaylndkpglgidideakaaky
    pceggipswtmartpdgtasrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3twbB (B:)
    snlkitnvktiltapggidlavvkietnepglyglgcatftqrifavksaideymapflv
    gkdptriediwqsgvvsgywrngpimnnalsgvdmalwdikgklagmpvydllggkcrdg
    iplychtdggdevevednirarmeegyqyvrcqmgmyggagtddlkliatqlarakniqp
    krsprsktpgiyfdpdayaksvprlfdhlrnklgfgiefihdvhervtpvtainlaktle
    qyqlfyledpvapenidwlkmlrqqsstpismgelfvnvnewkplidnrlidyirchvst
    iggitparklavyselngvrtawhgpgdispvgvcanmhldlsspnfgiqeytpmndalr
    dvfpgcpeidhgyaylndkpglgidideakaakypceggipswtmartpdgtasrp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3twbC (C:)
    mhhhhhhssgvdlgtenlyfqsmmkvsnlkitnvktiltapggidlavvkietnepglyg
    lgcatftqrifavksaideymapflvgkdptriediwqsgvvsgywrngpimnnalsgvd
    malwdikgklagmpvydllggkcrdgiplychtdggdevevednirarmeegyqyvrcqm
    gmyggagtddlkliatqlarakniqpkrsprsktpgiyfdpdayaksvprlfdhlrnklg
    fgiefihdvhervtpvtainlaktleqyqlfyledpvapenidwlkmlrqqsstpismge
    lfvnvnewkplidnrlidyirchvstiggitparklavyselngvrtawhgpgdispvgv
    canmhldlsspnfgiqeytpmndalrdvfpgcpeidhgyaylndkpglgidideakaaky
    pceggipswtmartpdgtasrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3twbC (C:)
    vsnlkitnvktiltapggidlavvkietnepglyglgcatftqrifavksaideymapfl
    vgkdptriediwqsgvvsgywrngpimnnalsgvdmalwdikgklagmpvydllggkcrd
    giplychtdggdevevednirarmeegyqyvrcqmgmyggagtddlkliatqlarakniq
    pkrsprsktpgiyfdpdayaksvprlfdhlrnklgfgiefihdvhervtpvtainlaktl
    eqyqlfyledpvapenidwlkmlrqqsstpismgelfvnvnewkplidnrlidyirchvs
    tiggitparklavyselngvrtawhgpgdispvgvcanmhldlsspnfgiqeytpmndal
    rdvfpgcpeidhgyaylndkpglgidideakaakypceggipswtmartpdgtasrp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3twbD (D:)
    mhhhhhhssgvdlgtenlyfqsmmkvsnlkitnvktiltapggidlavvkietnepglyg
    lgcatftqrifavksaideymapflvgkdptriediwqsgvvsgywrngpimnnalsgvd
    malwdikgklagmpvydllggkcrdgiplychtdggdevevednirarmeegyqyvrcqm
    gmyggagtddlkliatqlarakniqpkrsprsktpgiyfdpdayaksvprlfdhlrnklg
    fgiefihdvhervtpvtainlaktleqyqlfyledpvapenidwlkmlrqqsstpismge
    lfvnvnewkplidnrlidyirchvstiggitparklavyselngvrtawhgpgdispvgv
    canmhldlsspnfgiqeytpmndalrdvfpgcpeidhgyaylndkpglgidideakaaky
    pceggipswtmartpdgtasrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3twbD (D:)
    snlkitnvktiltapggidlavvkietnepglyglgcatftqrifavksaideymapflv
    gkdptriediwqsgvvsgywrngpimnnalsgvdmalwdikgklagmpvydllggkcrdg
    iplychtdggdevevednirarmeegyqyvrcqmgmyggagtddlkliatqlarakniqp
    krsprsktpgiyfdpdayaksvprlfdhlrnklgfgiefihdvhervtpvtainlaktle
    qyqlfyledpvapenidwlkmlrqqsstpismgelfvnvnewkplidnrlidyirchvst
    iggitparklavyselngvrtawhgpgdispvgvcanmhldlsspnfgiqeytpmndalr
    dvfpgcpeidhgyaylndkpglgidideakaakypceggipswtmartpdgtasrp
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3twbE (E:)
    mhhhhhhssgvdlgtenlyfqsmmkvsnlkitnvktiltapggidlavvkietnepglyg
    lgcatftqrifavksaideymapflvgkdptriediwqsgvvsgywrngpimnnalsgvd
    malwdikgklagmpvydllggkcrdgiplychtdggdevevednirarmeegyqyvrcqm
    gmyggagtddlkliatqlarakniqpkrsprsktpgiyfdpdayaksvprlfdhlrnklg
    fgiefihdvhervtpvtainlaktleqyqlfyledpvapenidwlkmlrqqsstpismge
    lfvnvnewkplidnrlidyirchvstiggitparklavyselngvrtawhgpgdispvgv
    canmhldlsspnfgiqeytpmndalrdvfpgcpeidhgyaylndkpglgidideakaaky
    pceggipswtmartpdgtasrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3twbE (E:)
    nlkitnvktiltapggidlavvkietnepglyglgcatftqrifavksaideymapflvg
    kdptriediwqsgvvsgywrngpimnnalsgvdmalwdikgklagmpvydllggkcrdgi
    plychtdggdevevednirarmeegyqyvrcqmgmyggagtddlkliatqlarakniqpk
    rsprsktpgiyfdpdayaksvprlfdhlrnklgfgiefihdvhervtpvtainlaktleq
    yqlfyledpvapenidwlkmlrqqsstpismgelfvnvnewkplidnrlidyirchvsti
    ggitparklavyselngvrtawhgpgdispvgvcanmhldlsspnfgiqeytpmndalrd
    vfpgcpeidhgyaylndkpglgidideakaakypceggipswtmartpdgtasrp