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 2.05 freeze date was dated 2011-08-10, with a file datestamp of 2011-08-05.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.239
AEROSPACI score: 0.22 (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 2.05: 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 2.05: 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 2.05: 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 2.05: 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