PDB entry 3qrw

View 3qrw on RCSB PDB site
Description: Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH
Class: oxidoreductase
Keywords: actinorhodin, polyketide, ketoreductase, short-chain dehydrogenase/reductase, OXIDOREDUCTASE, Type II polyketide ketoreductase, Rossmann fold
Deposited on 2011-02-18, released 2011-05-25
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-07-08.
Experiment type: XRAY
Resolution: 2.79 Å
R-factor: 0.164
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: ketoacyl reductase
    Species: Streptomyces coelicolor [TaxId:1902]
    Gene: actIII, SCBAC28G1.12c, SCO5086
    Database cross-references and differences (RAF-indexed):
    • Uniprot P16544 (Start-280)
      • engineered mutation (113)
    Domains in SCOPe 2.06: d3qrwa_
  • Chain 'B':
    Compound: ketoacyl reductase
    Species: Streptomyces coelicolor [TaxId:1902]
    Gene: actIII, SCBAC28G1.12c, SCO5086
    Database cross-references and differences (RAF-indexed):
    • Uniprot P16544 (20-280)
      • engineered mutation (113)
    Domains in SCOPe 2.06: d3qrwb_
  • Heterogens: NDP, FMT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3qrwA (A:)
    mgsshhhhhhssglvprgshmatqdsevalvtgatsgigleiarrlgkeglrvfvcarge
    eglrttlkelreagveadgrtcdvrsvpeiealvaavverygpvdvlvnnagrlgggata
    eladelwldvvetnltgvfrvtkqvlkaggmlergtgrivniastggkqgvvhaapysas
    khgvvgftkalglelartgitvnavcpgfvetpmaasvrehysdiwevsteeafdritar
    vpigryvqpsevaemvayligpgaaavtaqalnvcgglgny
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qrwA (A:)
    dsevalvtgatsgigleiarrlgkeglrvfvcargeeglrttlkelreagveadgrtcdv
    rsvpeiealvaavverygpvdvlvnnagrlgggataeladelwldvvetnltgvfrvtkq
    vlkaggmlergtgrivniastggkqgvvhaapysaskhgvvgftkalglelartgitvna
    vcpgfvetpmaasvrehysdiwevsteeafdritarvpigryvqpsevaemvayligpga
    aavtaqalnvcgglgny
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3qrwB (B:)
    mgsshhhhhhssglvprgshmatqdsevalvtgatsgigleiarrlgkeglrvfvcarge
    eglrttlkelreagveadgrtcdvrsvpeiealvaavverygpvdvlvnnagrlgggata
    eladelwldvvetnltgvfrvtkqvlkaggmlergtgrivniastggkqgvvhaapysas
    khgvvgftkalglelartgitvnavcpgfvetpmaasvrehysdiwevsteeafdritar
    vpigryvqpsevaemvayligpgaaavtaqalnvcgglgny
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qrwB (B:)
    matqdsevalvtgatsgigleiarrlgkeglrvfvcargeeglrttlkelreagveadgr
    tcdvrsvpeiealvaavverygpvdvlvnnagrlgggataeladelwldvvetnltgvfr
    vtkqvlkaggmlergtgrivniastggkqgvvhaapysaskhgvvgftkalglelartgi
    tvnavcpgfvetpmaasvrehysdiwevsteeafdritarvpigryvqpsevaemvayli
    gpgaaavtaqalnvcgglgny