DynDom - Protein Domain Motions

Alcohol Dehydrogenase

(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	Alcohol Dehydrogenase
Conformer 1 (PDB)	4rqu (A)
Conformer 2 (PDB)	4rqt (A)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	207	0.29	7 - 94 117 - 182 209 - 210 298 - 299 321 - 331 335 - 341 346 - 376
2	22	0.27	95 - 116
3	131	0.31	183 - 208 211 - 297 302 - 315 334 - 334 343 - 345

Sequence

`________________________________________________________________________________________94___________________116________` `4rqu(A) : SQIIRCKAAVAWEAGKPLVIEEVEVAPPQKHEVRIKILFTSLCHTDVYFWEAKGQTPLFPRIFGHEAGGIVESVGEGVTDLQPGDHVLPIFTGECGECRHCHSEESNMCDLLRINTERGG` `:` `4rqt(A) : SQIIRCKAAVAWEAGKPLVIEEVEVAPPQKHEVRIKILFTSLCHTDVYFWEAKGQTPLFPRIFGHEAGGIVESVGEGVTDLQPGDHVLPIFTGECGECRHCHSEESNMCDLLRINTERGG` `________________________________________________________________________________________94___________________116________` `_______________________________________________________182_______________________208____________________________________` `4rqu(A) : MIHDGESRFSINGKPIYHFLGTSTFSEYTVVHSGQVAKINPDAPLDKVCIVSCGLSTGLGATLNVAKPKKGQSVAIFGLGAVGLGAAEGARIAGASRIIGVDFNSKRFDQAKEFGVTECV` `:` `4rqt(A) : MIHDGESRFSINGKPIYHFLGTSTFSEYTVVHSGQVAKINPDAPLDKVCIVSCGLSTGLGATLNVAKPKKGQSVAIFGLGAVGLGAAEGARIAGASRIIGVDFNSKRFDQAKEFGVTECV` `_______________________________________________________182_______________________208____________________________________` `_________________________________________________296________________315_____________331_______341_345___________________` `4rqu(A) : NPKDHDKPIQQVIAEMTDGGVDRSVECTGSVQAMIQAFECVHDGWGVAVLVGVPSKDDAFKTHPMNFLNERTLKGTFFGNYKPKTDIPGVVEKYMNKELELEKFITHTVPFSEINKAFDY` `:` `4rqt(A) : NPKDHDKPIQQVIAEMTDGGVDRSVECTGSVQAMIQAFECVHDGWGVAVLVGVPSKDDAFKTHPMNFLNERTLKGTFFGNYKPKTDIPGVVEKYMNKELELEKFITHTVPFSEINKAFDY` `_________________________________________________296________________315_____________331_______341_345___________________` `_______________` `4rqu(A) : MLKGESIRCIITMGA` `:` `4rqt(A) : MLKGESIRCIITMGA` `_______________`

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)	4.5
Translation (A)	-0.3
Closure (%)	9.3
Bending Residues ( green )	94 - 95 116 - 117
Bending Region Analysis

Property	Value
Fixed Domain ( blue )	1
Moving Domain ( yellow )	3
Rotation Angle (deg)	3.3
Translation (A)	0.1
Closure (%)	79.7
Bending Residues ( green )	182 - 183 208 - 211 296 - 302 315 - 321 331 - 335 341 - 343 345 - 347
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification: Shear

Conformer 1 Contact:
Residue 1 ———› Residue 3

Conformer 2 Contact:
Residue 3 ———› Residue 1

Movement classification: Hinge

PyMOL Script

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