DynDom - Protein Domain Motions

Hexokinase

(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	Hexokinase
Conformer 1 (PDB)	3o4w (A)
Conformer 2 (PDB)	3o6w (A)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	333	0.46	26 - 82 98 - 101 160 - 163 167 - 168 208 - 468 479 - 483
2	125	0.57	83 - 97 102 - 159 164 - 166 169 - 207 469 - 478

Sequence

`_________________________________________________________________________76___________________97________________________` `3o4w(A) : VRLGPKKPPARKGSMADVPANLMEQIHGLETLFTVSSEKMRSIVKHFISELDKGLSKKGGNIPMIPGWVVEYPTGKETGDFLALDLGGTNLRVVLVKLGGNHDFDTTQNKYRLPDHLRTG` `:` `3o6w(A) : *****************VPANLMEQIHGLETLFTVSSEKMRSIVKHFISELDKGLSKKGGNIPMIPGWVVEYPTGKETGDFLALDLGGTNLRVVLVKLGGNHDFDTTQNKYRLPDHLRTG` `_________________________________________________________________________76___________________97________________________` `_________________________________157______166______________________________________207__________________________________` `3o4w(A) : TSEQLWSFIAKCLKEFVDEWYPDGVSEPLPLGFTFSYPASQKKINSGVLQRWTKGFDIEGVEGHDVVPMLQEQIEKLNIPINVVALINDTTGTLVASLYTDPQTKMGIIIGTGVNGAYYD` `:` `3o6w(A) : TSEQLWSFIAKCLKEFVDEWYPDGVSEPLPLGFTFSYPASQKKINSGVLQRWTKGFDIEGVEGHDVVPMLQEQIEKLNIPINVVALINDTTGTLVASLYTDPQTKMGIIIGTGVNGAYYD` `_________________________________157______166______________________________________207__________________________________` `________________________________________________________________________________________________________________________` `3o4w(A) : VVSGIEKLEGLLPEDIGPDSPMAINCEYGSFDNEHLVLPRTKYDVIIDEESPRPGQQAFEKMTSGYYLGEIMRLVLLDLYDSGFIFKDQDISKLKEAYVMDTSYPSKIEDDPFENLEDTD` `:` `3o6w(A) : VVSGIEKLEGLLPEDIGPDSPMAINCEYGSFDNEHLVLPRTKYDVIIDEESPRPGQQAFEKMTSGYYLGEIMRLVLLDLYDSGFIFKDQDISKLKEAYVMDTSYPSKIEDDPFENLEDTD` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________468____475______` `3o4w(A) : DLFKTNLNIETTVVERKLIRKLAELVGTRAARLTVCGVSAICDKRGYKTAHIAADGSVFNRYPGYKEKAAQALKDIYNWDVEKMEDHPIQLVAAEDGSGVGAAIIACLTQKRLAAGKSVG` `:` `3o6w(A) : DLFKTNLNIETTVVERKLIRKLAELVGTRAARLTVCGVSAICDKRGYKTAHIAADGSVFNRYPGYKEKAAQALKDIYNWDVEKMEDHPIQLVAAEDGSGVGAAIIACLTQKRLAAGKSVG` `________________________________________________________________________________________________________468____475______` `____` `3o4w(A) : IKGE` `:` `3o6w(A) : IKGE` `____`

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)	4.8
Translation (A)	-0.6
Closure (%)	96.2
Bending Residues ( green )	76 - 83 97 - 98 100 - 102 157 - 164 166 - 169 207 - 208 468 - 469 475 - 480
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification: Shear

PyMOL Script

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