PDB entry 4qd2

View 4qd2 on RCSB PDB site
Description: Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex
Class: cell adhesion
Keywords: Oral Toxicity, Botulinum Neurotoxin, E-Cadherin, HA70, HA17, HA33, CELL ADHESION
Deposited on 2014-05-13, released 2014-06-25
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-07-02, with a file datestamp of 2014-06-27.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.21
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Hemagglutinin component HA70
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha33, CBO0803, CLC_0859
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: Hemagglutinin component HA17
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha17, CBO0802, CLC_0858
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: Hemagglutinin component HA33
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha70, CBO0801, CLC_0857
    Database cross-references and differences (RAF-indexed):
    • Uniprot A5HZZ6 (Start-291)
      • expression tag (292)
    Domains in SCOPe 2.06: d4qd2c1, d4qd2c2
  • Chain 'D':
    Compound: Hemagglutinin component HA33
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha70, CBO0801, CLC_0857
    Database cross-references and differences (RAF-indexed):
    • Uniprot A5HZZ6 (Start-291)
      • expression tag (292)
    Domains in SCOPe 2.06: d4qd2d1, d4qd2d2, d4qd2d3
  • Chain 'E':
    Compound: Cadherin-1
    Species: Mus musculus [TaxId:10090]
    Gene: Cdh1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qd2e1, d4qd2e2
  • Chain 'F':
    Compound: Hemagglutinin component HA70
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha33, CBO0803, CLC_0859
    Database cross-references and differences (RAF-indexed):
  • Chain 'G':
    Compound: Hemagglutinin component HA17
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha17, CBO0802, CLC_0858
    Database cross-references and differences (RAF-indexed):
  • Chain 'H':
    Compound: Hemagglutinin component HA33
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha70, CBO0801, CLC_0857
    Database cross-references and differences (RAF-indexed):
    • Uniprot A5HZZ6 (Start-291)
      • expression tag (292)
    Domains in SCOPe 2.06: d4qd2h1, d4qd2h2, d4qd2h3
  • Chain 'I':
    Compound: Hemagglutinin component HA33
    Species: Clostridium botulinum [TaxId:441771]
    Gene: ha70, CBO0801, CLC_0857
    Database cross-references and differences (RAF-indexed):
    • Uniprot A5HZZ6 (Start-291)
      • expression tag (292)
    Domains in SCOPe 2.06: d4qd2i1, d4qd2i2, d4qd2i3
  • Chain 'J':
    Compound: Cadherin-1
    Species: Mus musculus [TaxId:10090]
    Gene: Cdh1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qd2j1, d4qd2j2
  • Heterogens: CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    No sequence available.

  • Chain 'B':
    No sequence available.

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4qd2C (C:)
ehysviqnslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaayki
ksmdihntnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyad
tvarnlklstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlyt
wdygrnqkwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlin
pvsdtdetytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnppgsa

    Sequence, based on observed residues (ATOM records): (download) 
    >4qd2C (C:)
nslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaaykiksmdihn
tnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyadtvarnlk
lstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlytwdygrnq
kwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlinpvsdtde
tytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnpp

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4qd2D (D:)
ehysviqnslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaayki
ksmdihntnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyad
tvarnlklstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlyt
wdygrnqkwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlin
pvsdtdetytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnppgsa

    Sequence, based on observed residues (ATOM records): (download) 
    >4qd2D (D:)
nslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaaykiksmdihn
tnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyadtvarnlk
lstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlytwdygrnq
kwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlinpvsdtde
tytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnpp

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4qd2E (E:)
dwvippiscpenekgefpknlvqiksnrdketkvfysitgqgadkppvgvfiieretgwl
kvtqpldreaiakyilyshavssngeavedpmeivitvtdqndnrpeftqevfegsvaeg
avpgtsvmkvsatdadddvntynaaiaytivsqdpelphknmftvnrdtgvisvltsgld
resyptytlvvqaadlqgeglsttakavitvkd

    Sequence, based on observed residues (ATOM records): (download) 
    >4qd2E (E:)
wvippiscpenekgefpknlvqiksnrdketkvfysitgqgadkppvgvfiieretgwlk
vtqpldreaiakyilyshavssngeavedpmeivitvtdqndnrpeftqevfegsvaega
vpgtsvmkvsatdadddvntynaaiaytivsqdpelphknmftvnrdtgvisvltsgldr
esyptytlvvqaadlqgeglsttakavitvkd

  • Chain 'F':
    No sequence available.

  • Chain 'G':
    No sequence available.

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >4qd2H (H:)
ehysviqnslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaayki
ksmdihntnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyad
tvarnlklstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlyt
wdygrnqkwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlin
pvsdtdetytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnppgsa

    Sequence, based on observed residues (ATOM records): (download) 
    >4qd2H (H:)
nslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaaykiksmdihn
tnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyadtvarnlk
lstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlytwdygrnq
kwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlinpvsdtde
tytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnpp

  • Chain 'I':
    Sequence, based on SEQRES records: (download) 
    >4qd2I (I:)
ehysviqnslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaayki
ksmdihntnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyad
tvarnlklstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlyt
wdygrnqkwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlin
pvsdtdetytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnppgsa

    Sequence, based on observed residues (ATOM records): (download) 
    >4qd2I (I:)
nslndkivtisckadtnlffyqvagnvslfqqtrnylerwrliydsnkaaykiksmdihn
tnlvltwnapthnistqqdsnadnqywlllkdignnsfiiasyknpnlvlyadtvarnlk
lstlnnsnyikfiiedyiisdlnnftckispildlnkvvqqvdvtnlnvnlytwdygrnq
kwtiryneekaayqffntilsngvltwifsngntvrvsssndqnndaqywlinpvsdtde
tytitnlrdttkaldlyggqtangtaiqvfnyhgddnqkwnirnpp

  • Chain 'J':
    Sequence, based on SEQRES records: (download) 
    >4qd2J (J:)
dwvippiscpenekgefpknlvqiksnrdketkvfysitgqgadkppvgvfiieretgwl
kvtqpldreaiakyilyshavssngeavedpmeivitvtdqndnrpeftqevfegsvaeg
avpgtsvmkvsatdadddvntynaaiaytivsqdpelphknmftvnrdtgvisvltsgld
resyptytlvvqaadlqgeglsttakavitvkd

    Sequence, based on observed residues (ATOM records): (download) 
    >4qd2J (J:)
wvippiscpenekgefpknlvqiksnrdketkvfysitgqgadkppvgvfiieretgwlk
vtqpldreaiakyilyshavssngeavedpmeivitvtdqndnrpeftqevfegsvaega
vpgtsvmkvsatdadddvntynaaiaytivsqdpelphknmftvnrdtgvisvltsgldr
esyptytlvvqaadlqgeglsttakavitvkd