Bifunctional Dihydrofolate Reductase-Thymidylate Synthase

(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 Bifunctional Dihydrofolate Reductase-Thymidylate Synthase
  Conformer 1
(PDB)
2h2q (A)
  Conformer 2
(PDB)
3hbb (A)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 307 0.98   4 - 19   195 - 205   234 - 513
2 198 0.83   20 - 194   206 - 233

Sequence


           _______10_______________________________________________________________________________________________________________ 
 2h2q(A) : SLFKIRMPETVAEGTRLALRAFSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLSSTLTTQHLLDGLPDEEKRNLH 
         :                                                                                                                          
 3hbb(A) : SLFKIRMPETVAEGTRLALRAFSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLSSTLTTQHLLDGLPDE-----h 
           _______10_______________________________________________________________________________________________________________ 

           ______________________________________________________________________194________205_________________________233________ 
 2h2q(A) : ADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYL 
         :                                                                                                                          
 3hbb(A) : ADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYL 
           ______________________________________________________________________194________205_________________________233________ 

           ________________________________________________________________________________________________________________________ 
 2h2q(A) : SLVDRIIREGNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFLRGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHFGAAYTHHDANY 
         :                                                                                                                          
 3hbb(A) : SLVDRIIREGNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFLRGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHFGAAYTHHDANY 
           ________________________________________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 2h2q(A) : DGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMALPPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATGLRPGELVHTLGDAHVYSNHVEPCNEQLKRVP 
         :                                                                                                                          
 3hbb(A) : DGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMALPPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATGLRPGELVHTLGDAHVYSNHVEPCNEQLKRVP 
           ________________________________________________________________________________________________________________________ 

           ___________________________________                                                                                      
 2h2q(A) : RAFPYLVFRREREFLEDYEEGDMEVIDYAPYPPI*                                                                                      
         :                                                                                                                          
 3hbb(A) : RAFPYLVFRREREFLEDYEEGDMEVIDYAPYPPIS                                                                                      
           ___________________________________                                                                                      

Morph

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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
11.6
Translation
(A)
0.1
Closure
(%)
54.1
Bending Residues
( green )
  10 - 20
  194 - 195
  205 - 206
  233 - 234
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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