PDB entry 6aa8

View 6aa8 on RCSB PDB site
Description: Crystal structure of (S)-3-hydroxybutyryl-coenzymeA dehydrogenase from Clostridium acetobutylicum complexed with NAD+
Class: oxidoreductase
Keywords: Complex, Rossmann fold, OXIDOREDUCTASE
Deposited on 2018-07-17, released 2018-11-07
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-11-21, with a file datestamp of 2018-11-16.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-hydroxybutyryl-CoA dehydrogenase
    Species: Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787) [TaxId:272562]
    Gene: hbd, CA_C2708
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6aa8a1, d6aa8a2
  • Chain 'B':
    Compound: 3-hydroxybutyryl-CoA dehydrogenase
    Species: Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787) [TaxId:272562]
    Gene: hbd, CA_C2708
    Database cross-references and differences (RAF-indexed):
    • Uniprot P52041 (20-End)
      • expression tag (19)
    Domains in SCOPe 2.08: d6aa8b1, d6aa8b2, d6aa8b3
  • Chain 'C':
    Compound: 3-hydroxybutyryl-CoA dehydrogenase
    Species: Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787) [TaxId:272562]
    Gene: hbd, CA_C2708
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6aa8c1, d6aa8c2
  • Chain 'D':
    Compound: 3-hydroxybutyryl-CoA dehydrogenase
    Species: Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787) [TaxId:272562]
    Gene: hbd, CA_C2708
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6aa8d1, d6aa8d2
  • Chain 'E':
    Compound: 3-hydroxybutyryl-CoA dehydrogenase
    Species: Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787) [TaxId:272562]
    Gene: hbd, CA_C2708
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6aa8e1, d6aa8e2
  • Chain 'F':
    Compound: 3-hydroxybutyryl-CoA dehydrogenase
    Species: Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787) [TaxId:272562]
    Gene: hbd, CA_C2708
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6aa8f1, d6aa8f2
  • Heterogens: NAD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6aa8A (A:)
    mgsshhhhhhssglvprgshmkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrg
    ldfinknlsklvkkgkieeatkveiltrisgtvdlnmaadcdlvieaavermdikkqifa
    dldnickpetilasntsslsitevasatkrpdkvigmhffnpapvmklvevirgiatsqe
    tfdavketsiaigkdpvevaeapgfvvnrilipmineavgilaegiasvedidkamklga
    nhpmgplelgdfigldiclaimdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    sk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aa8A (A:)
    mkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrgldfinknlsklvkkgkieea
    tkveiltrisgtvdlnmaadcdlvieaavermdikkqifadldnickpetilasntssls
    itevasatkrpdkvigmhffnpapvmklvevirgiatsqetfdavketsiaigkdpveva
    eapgfvvnrilipmineavgilaegiasvedidkamklganhpmgplelgdfigldicla
    imdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6aa8B (B:)
    mgsshhhhhhssglvprgshmkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrg
    ldfinknlsklvkkgkieeatkveiltrisgtvdlnmaadcdlvieaavermdikkqifa
    dldnickpetilasntsslsitevasatkrpdkvigmhffnpapvmklvevirgiatsqe
    tfdavketsiaigkdpvevaeapgfvvnrilipmineavgilaegiasvedidkamklga
    nhpmgplelgdfigldiclaimdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    sk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aa8B (B:)
    hmkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrgldfinknlsklvkkgkiee
    atkveiltrisgtvdlnmaadcdlvieaavermdikkqifadldnickpetilasntssl
    sitevasatkrpdkvigmhffnpapvmklvevirgiatsqetfdavketsiaigkdpvev
    aeapgfvvnrilipmineavgilaegiasvedidkamklganhpmgplelgdfigldicl
    aimdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6aa8C (C:)
    mgsshhhhhhssglvprgshmkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrg
    ldfinknlsklvkkgkieeatkveiltrisgtvdlnmaadcdlvieaavermdikkqifa
    dldnickpetilasntsslsitevasatkrpdkvigmhffnpapvmklvevirgiatsqe
    tfdavketsiaigkdpvevaeapgfvvnrilipmineavgilaegiasvedidkamklga
    nhpmgplelgdfigldiclaimdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    sk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aa8C (C:)
    kkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrgldfinknlsklvkkgkieeat
    kveiltrisgtvdlnmaadcdlvieaavermdikkqifadldnickpetilasntsslsi
    tevasatkrpdkvigmhffnpapvmklvevirgiatsqetfdavketsiaigkdpvevae
    apgfvvnrilipmineavgilaegiasvedidkamklganhpmgplelgdfigldiclai
    mdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6aa8D (D:)
    mgsshhhhhhssglvprgshmkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrg
    ldfinknlsklvkkgkieeatkveiltrisgtvdlnmaadcdlvieaavermdikkqifa
    dldnickpetilasntsslsitevasatkrpdkvigmhffnpapvmklvevirgiatsqe
    tfdavketsiaigkdpvevaeapgfvvnrilipmineavgilaegiasvedidkamklga
    nhpmgplelgdfigldiclaimdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    sk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aa8D (D:)
    kkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrgldfinknlsklvkkgkieeat
    kveiltrisgtvdlnmaadcdlvieaavermdikkqifadldnickpetilasntsslsi
    tevasatkrpdkvigmhffnpapvmklvevirgiatsqetfdavketsiaigkdpvevae
    apgfvvnrilipmineavgilaegiasvedidkamklganhpmgplelgdfigldiclai
    mdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >6aa8E (E:)
    mgsshhhhhhssglvprgshmkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrg
    ldfinknlsklvkkgkieeatkveiltrisgtvdlnmaadcdlvieaavermdikkqifa
    dldnickpetilasntsslsitevasatkrpdkvigmhffnpapvmklvevirgiatsqe
    tfdavketsiaigkdpvevaeapgfvvnrilipmineavgilaegiasvedidkamklga
    nhpmgplelgdfigldiclaimdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    sk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aa8E (E:)
    kkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrgldfinknlsklvkkgkieeat
    kveiltrisgtvdlnmaadcdlvieaavermdikkqifadldnickpetilasntsslsi
    tevasatkrpdkvigmhffnpapvmklvevirgiatsqetfdavketsiaigkdpvevae
    apgfvvnrilipmineavgilaegiasvedidkamklganhpmgplelgdfigldiclai
    mdvlysetgdskyrphtllkkyvragwlgrksgkgfydysk
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >6aa8F (F:)
    mgsshhhhhhssglvprgshmkkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrg
    ldfinknlsklvkkgkieeatkveiltrisgtvdlnmaadcdlvieaavermdikkqifa
    dldnickpetilasntsslsitevasatkrpdkvigmhffnpapvmklvevirgiatsqe
    tfdavketsiaigkdpvevaeapgfvvnrilipmineavgilaegiasvedidkamklga
    nhpmgplelgdfigldiclaimdvlysetgdskyrphtllkkyvragwlgrksgkgfydy
    sk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aa8F (F:)
    kkvcvigagtmgsgiaqafaakgfevvlrdikdefvdrgldfinknlsklvkkgkieeat
    kveiltrisgtvdlnmaadcdlvieaavermdikkqifadldnickpetilasntsslsi
    tevasatkrpdkvigmhffnpapvmklvevirgiatsqetfdavketsiaigkdpvevae
    apgfvvnrilipmineavgilaegiasvedidkamklganhpmgplelgdfigldiclai
    mdvlysetgdskyrphtllkkyvragwlgrksgkgfydy