DynDom - Protein Domain Motions

Pyruvate Kinase

(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	Pyruvate Kinase
Conformer 1 (PDB)	1a49 (B)
Conformer 2 (PDB)	1aqf (C)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	338	0.43	614 - 621 623 - 623 627 - 710 713 - 716 813 - 818 820 - 838 852 - 863 876 - 876 881 - 883 892 - 896 901 - 914 920 - 952 955 - 955 957 - 987 990 - 1030 1034 - 1056 1073 - 1124
2	173	0.59	622 - 622 624 - 626 711 - 712 717 - 812 819 - 819 839 - 851 864 - 875 877 - 880 884 - 891 897 - 900 915 - 919 953 - 954 956 - 956 988 - 989 1031 - 1033 1057 - 1072

Sequence

`_______621__626_________________________________________________________________________________710_____________________` `1a49(B) : IQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEV` `:` `1aqf(C) : IQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEV` `________21___26_________________________________________________________________________________110_____________________` `______________________________________________________________________________812___818_________________838__________851` `1a49(B) : ELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVH` `:` `1aqf(C) : ELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVH` `______________________________________________________________________________212___218_________________238__________251` `_________863_________875__880________891______900___________914__919______________________________952___________________` `1a49(B) : EVRKILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPL` `:` `1aqf(C) : EVRKILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPL` `_________263_________275__280________291______300___________314__319______________________________352___________________` `_____________987_______________________________________1030______________________1056____________1072___________________` `1a49(B) : EAVRMQHLIAREAEAAMFHRKLFEELARSSSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNL` `:` `1aqf(C) : EAVRMQHLIAREAEAAMFHRKLFEELARSSSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNL` `_____________387________________________________________430_______________________456_____________472___________________` `_______________________________________` `1a49(B) : AMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP` `:` `1aqf(C) : AMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP` `_______________________________________`

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)	2.9
Translation (A)	-0.1
Closure (%)	99.5
Bending Residues ( green )	621 - 624 626 - 627 710 - 717 812 - 813 818 - 820 838 - 839 851 - 852 863 - 864 875 - 877 880 - 881 883 - 884 891 - 897 900 - 901 914 - 915 919 - 920 952 - 957 987 - 990 1030 - 1031 1033 - 1034 1056 - 1057 1072 - 1073
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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