PDB entry 4itu

View 4itu on RCSB PDB site
Description: Crystal structure of S-2-HYDROXYPROPYL COENZYME M DEHYDROGENASE (S-HPCDH) bound to S-HPC AND NADH
Class: oxidoreductase
Keywords: Rossmann Fold, Oxidoreductase
Deposited on 2013-01-18, released 2013-03-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-04-24, with a file datestamp of 2013-04-19.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.166
AEROSPACI score: 0.61 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Short-chain dehydrogenase/reductase SDR
    Species: XANTHOBACTER AUTOTROPHICUS [TaxId:78245]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4itua_
  • Chain 'B':
    Compound: Short-chain dehydrogenase/reductase SDR
    Species: XANTHOBACTER AUTOTROPHICUS [TaxId:78245]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4itub_
  • Chain 'C':
    Compound: Short-chain dehydrogenase/reductase SDR
    Species: XANTHOBACTER AUTOTROPHICUS [TaxId:78245]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ituc_
  • Chain 'D':
    Compound: Short-chain dehydrogenase/reductase SDR
    Species: XANTHOBACTER AUTOTROPHICUS [TaxId:78245]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4itud_
  • Heterogens: NAI, 1HS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ituA (A:)
    mgsshhhhhhsqdpmsnrlkneviaitgggagiglaiasaalregakvalidldqglaer
    saamlstggavakgfgadvtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaa
    awdrimavnvtgtflaskaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnl
    trqmaadysgrgvrvnavcpgtvtstgmgqqllgsdtspevqarrlakypigrfgtpedi
    aeavifllsdqaafvtgaafavdggmtai
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ituA (A:)
    nrlkneviaitgggagiglaiasaalregakvalidldqglaersaamlstggavakgfg
    advtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaaawdrimavnvtgtfla
    skaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnltrqmaadysgrgvrvn
    avcpgtvtstgmgqqllgsdtspevqarrlakypigrfgtpediaeavifllsdqaafvt
    gaafavdggmtai
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ituB (B:)
    mgsshhhhhhsqdpmsnrlkneviaitgggagiglaiasaalregakvalidldqglaer
    saamlstggavakgfgadvtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaa
    awdrimavnvtgtflaskaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnl
    trqmaadysgrgvrvnavcpgtvtstgmgqqllgsdtspevqarrlakypigrfgtpedi
    aeavifllsdqaafvtgaafavdggmtai
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ituB (B:)
    nrlkneviaitgggagiglaiasaalregakvalidldqglaersaamlstggavakgfg
    advtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaaawdrimavnvtgtfla
    skaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnltrqmaadysgrgvrvn
    avcpgtvtstgmgqqllgspevqarrlakypigrfgtpediaeavifllsdqaafvtgaa
    favdggmtai
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4ituC (C:)
    mgsshhhhhhsqdpmsnrlkneviaitgggagiglaiasaalregakvalidldqglaer
    saamlstggavakgfgadvtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaa
    awdrimavnvtgtflaskaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnl
    trqmaadysgrgvrvnavcpgtvtstgmgqqllgsdtspevqarrlakypigrfgtpedi
    aeavifllsdqaafvtgaafavdggmtai
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ituC (C:)
    nrlkneviaitgggagiglaiasaalregakvalidldqglaersaamlstggavakgfg
    advtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaaawdrimavnvtgtfla
    skaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnltrqmaadysgrgvrvn
    avcpgtvtstgmgqqllvqarrlakypigrfgtpediaeavifllsdqaafvtgaafavd
    ggmtai
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4ituD (D:)
    mgsshhhhhhsqdpmsnrlkneviaitgggagiglaiasaalregakvalidldqglaer
    saamlstggavakgfgadvtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaa
    awdrimavnvtgtflaskaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnl
    trqmaadysgrgvrvnavcpgtvtstgmgqqllgsdtspevqarrlakypigrfgtpedi
    aeavifllsdqaafvtgaafavdggmtai
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ituD (D:)
    nrlkneviaitgggagiglaiasaalregakvalidldqglaersaamlstggavakgfg
    advtkaaditaaitsaeqtigsltglvnnagiagfgsvhdadaaawdrimavnvtgtfla
    skaalagmlerhkgtivnfgsvaglvgiptmaaycaakgaivnltrqmaadysgrgvrvn
    avcpgtvtstgmgqqllgpevqarrlakypigrfgtpediaeavifllsdqaafvtgaaf
    avdggmtai