PDB entry 3rmy

View 3rmy on RCSB PDB site
Description: Crystal structure of HCR/D W1238A mutant
Class: toxin
Keywords: Botulinum Neurotoxin, Ganglioside binding loop, W1238A, TOXIN
Deposited on 2011-04-21, released 2011-06-01
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-08-10, with a file datestamp of 2011-08-05.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.232
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Botulinum neurotoxin type D
    Species: Clostridium botulinum [TaxId:1491]
    Gene: botD, Botulinum Neurotoxin D
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3rmya1, d3rmya2
  • Chain 'B':
    Compound: Botulinum neurotoxin type D
    Species: Clostridium botulinum [TaxId:1491]
    Gene: botD, Botulinum Neurotoxin D
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3rmyb1, d3rmyb2
  • Chain 'C':
    Compound: Botulinum neurotoxin type D
    Species: Clostridium botulinum [TaxId:1491]
    Gene: botD, Botulinum Neurotoxin D
    Database cross-references and differences (RAF-indexed):
    • Uniprot P19321 (0-414)
      • engineered mutation (376)
    Domains in SCOPe 2.05: d3rmyc1, d3rmyc2
  • Chain 'D':
    Compound: Botulinum neurotoxin type D
    Species: Clostridium botulinum [TaxId:1491]
    Gene: botD, Botulinum Neurotoxin D
    Database cross-references and differences (RAF-indexed):
    • Uniprot P19321 (0-414)
      • engineered mutation (376)
    Domains in SCOPe 2.05: d3rmyd1, d3rmyd2
  • Heterogens: GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3rmyA (A:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    ilysaiyenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrk
    ykslifdyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldkti
    vfgidenidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyi
    indnyidryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmly
    nsrkymiirdtdtiyatqggecsqncvyalklqsnlgnygigifsiknivsknkycsqif
    ssfrentmlladiykparfsfknaytpvavtnyetkllstssfwkfisrdpgwve
    

    Sequence, based on observed residues (ATOM records): (download)
    >3rmyA (A:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    iaiyenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkyks
    lifdyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfg
    idenidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiind
    nyidryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsr
    kymiirdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentm
    lladiykknaytpvavtnyetkllstssfwkfisrdpgwve
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3rmyB (B:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    ilysaiyenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrk
    ykslifdyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldkti
    vfgidenidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyi
    indnyidryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmly
    nsrkymiirdtdtiyatqggecsqncvyalklqsnlgnygigifsiknivsknkycsqif
    ssfrentmlladiykparfsfknaytpvavtnyetkllstssfwkfisrdpgwve
    

    Sequence, based on observed residues (ATOM records): (download)
    >3rmyB (B:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    yenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkykslif
    dyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfgide
    nidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiindnyi
    dryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsrkym
    iirdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentmlla
    diykknaytpvavtnyetkllstssfwkfisrdpgwve
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3rmyC (C:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    ilysaiyenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrk
    ykslifdyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldkti
    vfgidenidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyi
    indnyidryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmly
    nsrkymiirdtdtiyatqggecsqncvyalklqsnlgnygigifsiknivsknkycsqif
    ssfrentmlladiykparfsfknaytpvavtnyetkllstssfwkfisrdpgwve
    

    Sequence, based on observed residues (ATOM records): (download)
    >3rmyC (C:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    enssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkykslifd
    yseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfgiden
    idenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiindnyid
    ryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsrkymi
    irdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentmllad
    iykparfsfknaytpvavtnyetkllstssfwkfisrdpgwve
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3rmyD (D:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    ilysaiyenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrk
    ykslifdyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldkti
    vfgidenidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyi
    indnyidryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmly
    nsrkymiirdtdtiyatqggecsqncvyalklqsnlgnygigifsiknivsknkycsqif
    ssfrentmlladiykparfsfknaytpvavtnyetkllstssfwkfisrdpgwve
    

    Sequence, based on observed residues (ATOM records): (download)
    >3rmyD (D:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    ienssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkykslif
    dyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfgide
    nidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiindnyi
    dryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsrkym
    iirdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentmlla
    diykparfsfknaytpvavtnyetkllstssfwkfisrdpgwve