PDB entry 4is3

View 4is3 on RCSB PDB site
Description: Crystal structure of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 in complex with a putative NAD(+)-OH- adduct at 2.0 A resolution
Class: oxidoreductase
Keywords: NAD(P)-binding Rossmann-fold domains, Structural Genomics, Joint Center for Structural Genomics, JCSG, Protein Structure Initiative, PSI-BIOLOGY, OXIDOREDUCTASE
Deposited on 2013-01-16, released 2013-04-24
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.153
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bile acid 3-alpha hydroxysteroid dehydrogenase
    Species: Clostridium scindens [TaxId:29347]
    Gene: baiA, BAIA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4is3a_
  • Chain 'B':
    Compound: Bile acid 3-alpha hydroxysteroid dehydrogenase
    Species: Clostridium scindens [TaxId:29347]
    Gene: baiA, BAIA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4is3b_
  • Chain 'C':
    Compound: Bile acid 3-alpha hydroxysteroid dehydrogenase
    Species: Clostridium scindens [TaxId:29347]
    Gene: baiA, BAIA2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P19337 (19-267)
      • leader sequence (18)
    Domains in SCOPe 2.05: d4is3c_
  • Chain 'D':
    Compound: Bile acid 3-alpha hydroxysteroid dehydrogenase
    Species: Clostridium scindens [TaxId:29347]
    Gene: baiA, BAIA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4is3d_
  • Heterogens: NAD, UNL, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4is3A (A:)
    mgsdkihhhhhhenlyfqgmnlvqdkvtiitggtrgigfaaakifidngakvsifgetqe
    evdtalaqlkelypeeevlgfapdltsrdavmaavgqvaqkygrldvminnagitsnnvf
    srvseeefkhimdinvtgvfngawcayqcmkdakkgviintasvtgifgslsgvgypask
    asviglthglgreiirknirvvgvapgvvntdmtngnppeimegylkalpmkrmlepeei
    anvylflasdlasgitattvsvdgayrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4is3A (A:)
    mnlvqdkvtiitggtrgigfaaakifidngakvsifgetqeevdtalaqlkelypeeevl
    gfapdltsrdavmaavgqvaqkygrldvminnagitsnnvfsrvseeefkhimdinvtgv
    fngawcayqcmkdakkgviintasvtgifgslsgvgypaskasviglthglgreiirkni
    rvvgvapgvvntdmtngnppeimegylkalpmkrmlepeeianvylflasdlasgitatt
    vsvdgayrp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4is3B (B:)
    mgsdkihhhhhhenlyfqgmnlvqdkvtiitggtrgigfaaakifidngakvsifgetqe
    evdtalaqlkelypeeevlgfapdltsrdavmaavgqvaqkygrldvminnagitsnnvf
    srvseeefkhimdinvtgvfngawcayqcmkdakkgviintasvtgifgslsgvgypask
    asviglthglgreiirknirvvgvapgvvntdmtngnppeimegylkalpmkrmlepeei
    anvylflasdlasgitattvsvdgayrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4is3B (B:)
    mnlvqdkvtiitggtrgigfaaakifidngakvsifgetqeevdtalaqlkelypeeevl
    gfapdltsrdavmaavgqvaqkygrldvminnagitsnnvfsrvseeefkhimdinvtgv
    fngawcayqcmkdakkgviintasvtgifgslsgvgypaskasviglthglgreiirkni
    rvvgvapgvvntdmtngnppeimegylkalpmkrmlepeeianvylflasdlasgitatt
    vsvdgayrp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4is3C (C:)
    mgsdkihhhhhhenlyfqgmnlvqdkvtiitggtrgigfaaakifidngakvsifgetqe
    evdtalaqlkelypeeevlgfapdltsrdavmaavgqvaqkygrldvminnagitsnnvf
    srvseeefkhimdinvtgvfngawcayqcmkdakkgviintasvtgifgslsgvgypask
    asviglthglgreiirknirvvgvapgvvntdmtngnppeimegylkalpmkrmlepeei
    anvylflasdlasgitattvsvdgayrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4is3C (C:)
    gmnlvqdkvtiitggtrgigfaaakifidngakvsifgetqeevdtalaqlkelypeeev
    lgfapdltsrdavmaavgqvaqkygrldvminnagitsnnvfsrvseeefkhimdinvtg
    vfngawcayqcmkdakkgviintasvtgifgslsgvgypaskasviglthglgreiirkn
    irvvgvapgvvntdmtngnppeimegylkalpmkrmlepeeianvylflasdlasgitat
    tvsvdgayrp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4is3D (D:)
    mgsdkihhhhhhenlyfqgmnlvqdkvtiitggtrgigfaaakifidngakvsifgetqe
    evdtalaqlkelypeeevlgfapdltsrdavmaavgqvaqkygrldvminnagitsnnvf
    srvseeefkhimdinvtgvfngawcayqcmkdakkgviintasvtgifgslsgvgypask
    asviglthglgreiirknirvvgvapgvvntdmtngnppeimegylkalpmkrmlepeei
    anvylflasdlasgitattvsvdgayrp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4is3D (D:)
    mnlvqdkvtiitggtrgigfaaakifidngakvsifgetqeevdtalaqlkelypeeevl
    gfapdltsrdavmaavgqvaqkygrldvminnagitsnnvfsrvseeefkhimdinvtgv
    fngawcayqcmkdakkgviintasvtgifgslsgvgypaskasviglthglgreiirkni
    rvvgvapgvvntdmtngnppeimegylkalpmkrmlepeeianvylflasdlasgitatt
    vsvdgayrp