PDB entry 3rmx

View 3rmx on RCSB PDB site
Description: Crystal structure of HCR/D F1240A mutant
Class: toxin
Keywords: Botulinum Neurotoxin, Ganglioside binding loop, F1240A, TOXIN
Deposited on 2011-04-21, released 2011-06-01
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-02-04, with a file datestamp of 2015-01-30.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.239
AEROSPACI score: 0.17 (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):
    • Uniprot P19321 (0-414)
      • engineered mutation (378)
    Domains in SCOPe 2.06: d3rmxa1, d3rmxa2
  • Chain 'B':
    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 (378)
    Domains in SCOPe 2.06: d3rmxb1, d3rmxb2
  • 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 (378)
    Domains in SCOPe 2.06: d3rmxc1, d3rmxc2
  • 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 (378)
    Domains in SCOPe 2.06: d3rmxd1, d3rmxd2
  • Heterogens: HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >3rmxA (A:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    yenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkykslif
    dyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfgide
    nidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiindnyi
    dryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsrkym
    iirdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentmlla
    diykpwrasfknaytpvavtnyetkllstssfwkfisrdpgwve
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3rmxB (B:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    saiyenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkyks
    lifdyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfg
    idenidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiind
    nyidryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsr
    kymiirdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentm
    lladiykpwrasfknaytpvavtnyetkllstssfwkfisrdpgwve
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3rmxC (C:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    inssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkykslifd
    yseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfgiden
    idenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiindnyid
    ryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsrkymi
    irdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentmllad
    iykpwrasfknaytpvavtnyetkllstssfwkfisrdpgwve
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3rmxD (D:)
    nsindskilslqnkknalvdtsgynaevrvgdnvqlntiytndfklsssgdkiivnlnnn
    ilyenssvsfwikiskdltnshneytiinsieqnsgwklcirngniewilqdvnrkyksl
    ifdyseslshtgytnkwffvtitnnimgymklyingelkqsqkiedldevkldktivfgi
    denidenqmlwirdfnifskelsnedinivyegqilrnvikdywgnplkfdteyyiindn
    yidryiapesnvlvlvqypdrsklytgnpitiksvsdknpysrilngdniilhmlynsrk
    ymiirdtdtiyacsqncvyalklqsnlgnygigifsiknivsknkycsqifssfrentml
    ladiykpwrasfknaytpvavtnyetkllstssfwkfisrdpgwve