PDB entry 3ri3

View 3ri3 on RCSB PDB site
Description: Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH and the Inhibitor Emodin
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: actinorhodin, polyketide, ketoreductase, short-chain dehydrogenase/reductase, Rossmann fold, Type II polyketide ketoreductase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2011-04-12, released 2011-06-29
The last revision prior to the SCOPe 2.02 freeze date was dated 2011-06-29, with a file datestamp of 2011-06-24.
Experiment type: XRAY
Resolution: 2.29 Å
R-factor: 0.183
AEROSPACI score: 0.37 (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 2.02: d3ri3a_
  • 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)
      • expression tag (16-19)
      • engineered mutation (113)
    Domains in SCOPe 2.02: d3ri3b_
  • Heterogens: NDP, EMO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ri3A (A:)
    mgsshhhhhhssglvprgshmatqdsevalvtgatsgigleiarrlgkeglrvfvcarge
    eglrttlkelreagveadgrtcdvrsvpeiealvaavverygpvdvlvnnagrlgggata
    eladelwldvvetnltgvfrvtkqvlkaggmlergtgrivniastggkqgvvhaapysas
    khgvvgftkalglelartgitvnavcpgfvetpmaasvrehysdiwevsteeafdritar
    vpigryvqpsevaemvayligpgaaavtaqalnvcgglgny
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ri3A (A:)
    sevalvtgatsgigleiarrlgkeglrvfvcargeeglrttlkelreagveadgrtcdvr
    svpeiealvaavverygpvdvlvnnagrlgggataeladelwldvvetnltgvfrvtkqv
    lkaggmlergtgrivniastggkqgvvhaapysaskhgvvgftkalglelartgitvnav
    cpgfvetpmaasvrehysdiwevsteeafdritarvpigryvqpsevaemvayligpgaa
    avtaqalnvcgglgny
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ri3B (B:)
    mgsshhhhhhssglvprgshmatqdsevalvtgatsgigleiarrlgkeglrvfvcarge
    eglrttlkelreagveadgrtcdvrsvpeiealvaavverygpvdvlvnnagrlgggata
    eladelwldvvetnltgvfrvtkqvlkaggmlergtgrivniastggkqgvvhaapysas
    khgvvgftkalglelartgitvnavcpgfvetpmaasvrehysdiwevsteeafdritar
    vpigryvqpsevaemvayligpgaaavtaqalnvcgglgny
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ri3B (B:)
    rgshmatqdsevalvtgatsgigleiarrlgkeglrvfvcargeeglrttlkelreagve
    adgrtcdvrsvpeiealvaavverygpvdvlvnnagrlgggataeladelwldvvetnlt
    gvfrvtkqvlkaggmlergtgrivniastggkqgvvhaapysaskhgvvgftkalglela
    rtgitvnavcpgfvetpmaasvrehteeafdritarvpigryvqpsevaemvayligpga
    aavtaqalnvcgglgny