Botulinum Neurotoxin Type A

(All numbering and residues are taken from first PDB file)

Run Details Domains Sequence Morph Domain Pairs Contact Graph

DynDom run details

  Property   Value
  Name Botulinum Neurotoxin Type A
  Conformer 1
(PDB)
2g7n (A)
  Conformer 2
(PDB)
2ise (B)
  Window Length 13
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 381 1.55   7 - 193   216 - 413
2 22 5.22   194 - 215

Sequence


           ________________________________________________________________________________________________________________________ 
 2g7n(A) : MFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPE----pVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGS 
         :                                                                                                                          
 2ise(B) : PFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGS 
           ________________________________________________________________________________________________________________________ 

           ______________________________________________________________________193___________________215_________________________ 
 2g7n(A) : TIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHDVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAEHRLYGIAINPNR 
         :                                                                                                                          
 2ise(B) : TIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNR 
           ______________________________________________________________________194___________________216_________________________ 

           ________________________________________________________________________________________________________________________ 
 2g7n(A) : VFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDVASTLNKAKSIIGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVNFFKVI 
         :                                                                                                                          
 2ise(B) : VFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVL 
           ________________________________________________________________________________________________________________________ 

           _____________________________________________________________                                                            
 2g7n(A) : NRKTYLNFDKAVFRINIVPDENYTIKDGFNLKGANLSTNFNGQNTEINSRNFTRLKNFT**                                                            
         :                                                                                                                          
 2ise(B) : NRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTPG                                                            
           _____________________________________________________________                                                            

Morph

This morph was created using the MorphIt_Pro protein morphing technique.
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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
54.6
Translation
(A)
0.2
Closure
(%)
65.0
Bending Residues
( green )
  193 - 194
  215 - 216
Bending Region Analysis

Dynamic Contact Graph

Conformer 1 Contact:
Residue 1 ———› Residue 2

Conformer 2 Contact:
Residue 2 ———› Residue 1

Movement classification: Hinge

PyMOL Script

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