PDB entry 2w2d

View 2w2d on RCSB PDB site
Description: Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A
Class: hydrolase
Keywords: metalloprotease, membrane domain, protein engineering, neurotoxin, metal-binding, transmembrane, hydrolase, zinc protease, mixed alpha and beta, bont,membrane, secreted, protease
Deposited on 2008-10-29, released 2009-03-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-03-28, with a file datestamp of 2012-03-23.
Experiment type: XRAY
Resolution: 2.59 Å
R-factor: 0.212
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Botulinum neurotoxin A light chain
    Species: Clostridium botulinum [TaxId:1491]
    Database cross-references and differences (RAF-indexed):
    • PDB 2W2D
      • conflict (5)
      • conflict (435)
    • Uniprot A5HZZ9 (4-End)
  • Chain 'B':
    Compound: botulinum neurotoxin a heavy chain
    Species: Clostridium botulinum [TaxId:1491]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A5HZZ9
      • conflict (5-6)
    Domains in SCOPe 2.07: d2w2db1, d2w2db2, d2w2db3
  • Chain 'C':
    Compound: Botulinum neurotoxin A light chain
    Species: Clostridium botulinum [TaxId:1491]
    Database cross-references and differences (RAF-indexed):
    • PDB 2W2D
      • conflict (5)
      • conflict (435)
    • Uniprot A5HZZ9 (4-End)
  • Chain 'D':
    Compound: botulinum neurotoxin a heavy chain
    Species: Clostridium botulinum [TaxId:1491]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A5HZZ9
      • conflict (5-6)
    Domains in SCOPe 2.07: d2w2dd1, d2w2dd2, d2w2dd3
  • Heterogens: SO4, ZN, CL, GOL, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    No sequence available.

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2w2dB (B:)
    nkalnlqcikvnnwdlffspsednftndlnkgeeitsdtnieaaeenisldliqqyyltf
    nfdnepenisienlssdiigqlelmpnierfpngkkyeldkytmfhylraqefehgksri
    altnsvneallnpsrvytffssdyvkkvnkateaamflgwveqlvydftdetsevsttdk
    iaditiiipyigpalnignmlykddfvgalifsgavillefipeiaipvlgtfalvsyia
    nkvltvqtidnalskrnekwdevykyivtnwlakvntqidlirkkmkealenqaeatkai
    inyqynqyteeeknninfniddlssklnesinkamininkflnqcsvsylmnsmipygvk
    rledfdaslkdallkyiydnrgtligqvdrlkdkvnntlstdipfqlskyvdnqrllstf
    teyikniints
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w2dB (B:)
    alnlqcikvnnwdlffspsednftndlnkgeeitsdtnieaaeenisldliqqyyltfnf
    dnepenisienlssdiigqlelmpnierfpngkkyeldkytmfhylraqefehgksrial
    tnsvneallnpsrvytffssdyvkkvnkateaamflgwveqlvydftdetsevsttdkia
    ditiiipyigpalnignmlykddfvgalifsgavillefipeiaipvlgtfalvsyiank
    vltvqtidnalskrnekwdevykyivtnwlakvntqidlirkkmkealenqaeatkaiin
    yqynqyteeeknninfniddlssklnesinkamininkflnqcsvsylmnsmipygvkrl
    edfdaslkdallkyiydnrgtligqvdrlkdkvnntlstdipfqlskyvdnqrllstfte
    yikn
    

  • Chain 'C':
    No sequence available.

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2w2dD (D:)
    nkalnlqcikvnnwdlffspsednftndlnkgeeitsdtnieaaeenisldliqqyyltf
    nfdnepenisienlssdiigqlelmpnierfpngkkyeldkytmfhylraqefehgksri
    altnsvneallnpsrvytffssdyvkkvnkateaamflgwveqlvydftdetsevsttdk
    iaditiiipyigpalnignmlykddfvgalifsgavillefipeiaipvlgtfalvsyia
    nkvltvqtidnalskrnekwdevykyivtnwlakvntqidlirkkmkealenqaeatkai
    inyqynqyteeeknninfniddlssklnesinkamininkflnqcsvsylmnsmipygvk
    rledfdaslkdallkyiydnrgtligqvdrlkdkvnntlstdipfqlskyvdnqrllstf
    teyikniints
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w2dD (D:)
    alnlqcikvnnwdlffspsednftndlnkgeeitsdtnieaaeenisldliqqyyltfnf
    dnepenisienlssdiigqlelmpnierfpngkkyeldkytmfhylraqefehrialtns
    vnealpsrvytffssdyvkkveaamflgwveqlvydftdetsevstditiiipyigpaln
    ignmlkddfvgalifsgavillefipeiaipvlgtfalvsyiankvltvqtidnalskrn
    ekwdevykyivtnwlakvntqidlirkkmkealenqaeatkaiinyqynqyteeeknnfn
    iddlssklnesinkamininkflnqcsvsylmnsmipygvkrledfdaslkdallkyiyd
    nrgtligqvdrlkdkvnntlstdipfqlskyvdnqrllstfteyikni