PDB entry 3bxx

View 3bxx on RCSB PDB site
Description: Binding of two substrate analogue molecules to dihydroflavonol 4-reductase alters the functional geometry of the catalytic site
Class: oxidoreductase
Keywords: rossmann fold, OXIDOREDUCTASE
Deposited on 2008-01-15, released 2008-10-21
The last revision prior to the SCOPe 2.05 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-20.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.292
AEROSPACI score: 0.15 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydroflavonol 4-reductase
    Species: Vitis vinifera [TaxId:29760]
    Gene: DFR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3bxxa_
  • Chain 'B':
    Compound: dihydroflavonol 4-reductase
    Species: Vitis vinifera [TaxId:29760]
    Gene: DFR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3bxxb_
  • Chain 'C':
    Compound: dihydroflavonol 4-reductase
    Species: Vitis vinifera [TaxId:29760]
    Gene: DFR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3bxxc_
  • Chain 'D':
    Compound: dihydroflavonol 4-reductase
    Species: Vitis vinifera [TaxId:29760]
    Gene: DFR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3bxxd_
  • Chain 'E':
    Compound: dihydroflavonol 4-reductase
    Species: Vitis vinifera [TaxId:29760]
    Gene: DFR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3bxxe_
  • Chain 'F':
    Compound: dihydroflavonol 4-reductase
    Species: Vitis vinifera [TaxId:29760]
    Gene: DFR1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3bxxf_
  • Heterogens: NAP, QUE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3bxxA (A:)
    mgsqsetvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltl
    wkadladegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktv
    rrlvftssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyake
    nnidfitiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiy
    lfenpkaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdl
    gfefkysledmftgavdtcrakgllppshekpvdgkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bxxA (A:)
    etvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltlwkadl
    adegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktvrrlvf
    tssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyakennidf
    itiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiylfenp
    kaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdlgfefk
    ysledmftgavdtcrakgllppsh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3bxxB (B:)
    mgsqsetvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltl
    wkadladegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktv
    rrlvftssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyake
    nnidfitiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiy
    lfenpkaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdl
    gfefkysledmftgavdtcrakgllppshekpvdgkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bxxB (B:)
    etvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltlwkadl
    adegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktvrrlvf
    tssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyakennidf
    itiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiylfenp
    kaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdlgfefk
    ysledmftgavdtcrakgllppsh
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3bxxC (C:)
    mgsqsetvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltl
    wkadladegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktv
    rrlvftssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyake
    nnidfitiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiy
    lfenpkaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdl
    gfefkysledmftgavdtcrakgllppshekpvdgkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bxxC (C:)
    etvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltlwkadl
    adegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktvrrlvf
    tssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyakennidf
    itiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiylfenp
    kaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdlgfefk
    ysledmftgavdtcrakgllppsh
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3bxxD (D:)
    mgsqsetvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltl
    wkadladegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktv
    rrlvftssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyake
    nnidfitiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiy
    lfenpkaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdl
    gfefkysledmftgavdtcrakgllppshekpvdgkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bxxD (D:)
    etvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltlwkadl
    adegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktvrrlvf
    tssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyakennidf
    itiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiylfenp
    kaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdlgfefk
    ysledmftgavdtcrakgllppsh
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3bxxE (E:)
    mgsqsetvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltl
    wkadladegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktv
    rrlvftssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyake
    nnidfitiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiy
    lfenpkaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdl
    gfefkysledmftgavdtcrakgllppshekpvdgkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bxxE (E:)
    etvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltlwkadl
    adegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktvrrlvf
    tssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyakennidf
    itiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiylfenp
    kaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdlgfefk
    ysledmftgavdtcrakgllppsh
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3bxxF (F:)
    mgsqsetvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltl
    wkadladegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktv
    rrlvftssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyake
    nnidfitiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiy
    lfenpkaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdl
    gfefkysledmftgavdtcrakgllppshekpvdgkt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bxxF (F:)
    etvcvtgasgfigswlvmrllergytvratvrdptnvkkvkhlldlpkaethltlwkadl
    adegsfdeaikgctgvfhvatpmdfeskdpenevikptiegmlgimkscaaaktvrrlvf
    tssagtvniqehqlpvydescwsdmefcrakkmtawmyfvsktlaeqaawkyakennidf
    itiiptlvvgpfimssmppslitalspitgneahysiirqgqfvhlddlcnahiylfenp
    kaegryicsshdciildlakmlrekypeyniptefkgvdenlksvcfsskkltdlgfefk
    ysledmftgavdtcrakgllppsh