Acetylcholinesterase

(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 Acetylcholinesterase
  Conformer 1
(PDB)
2cmf (A)
  Conformer 2
(PDB)
2j4f (A)
  Window Length 9
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 444 0.65   8 - 321   330 - 330   332 - 344   399 - 401   405 - 522
2 75 0.66   322 - 329   331 - 331   345 - 398   402 - 404   523 - 531

Sequence


           ________________________________________________________________________________________________________________________ 
 2cmf(A) : SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSG 
         :                                                                                                                          
 2j4f(A) : SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSG 
           ________________________________________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 2cmf(A) : SSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRR 
         :                                                                                                                          
 2j4f(A) : SSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRR 
           ________________________________________________________________________________________________________________________ 

           ___________________________________________________________________________321____328_____________344___________________ 
 2cmf(A) : RAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHA 
         :                                                                                                                          
 2j4f(A) : RAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHA 
           ___________________________________________________________________________321____328_____________344___________________ 

           ________________________________398___404_______________________________________________________________________________ 
 2cmf(A) : NDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPN 
         :                                                                                                                          
 2j4f(A) : NDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPN 
           ________________________________398___404_______________________________________________________________________________ 

           ________________________________522_____________                                                                         
 2cmf(A) : EPsKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNAT                                                                         
         :                                                                                                                          
 2j4f(A) : E-sKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNAT                                                                         
           ________________________________522_____________                                                                         

Morph

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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
5.2
Translation
(A)
0.3
Closure
(%)
87.2
Bending Residues
( green )
  321 - 322
  328 - 339
  344 - 345
  398 - 399
  401 - 402
  404 - 405
  522 - 523
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification: Mixed

PyMOL Script

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