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)	3hqp (I)
Conformer 2 (PDB)	1a3w (B)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	398	1.6	15 - 89 127 - 129 134 - 134 176 - 495
2	77	2.01	90 - 126 130 - 133 135 - 175

Sequence

`_________________________________________________________________________________________89_____________________________` `3hqp(I) : SQLAHNLTLSIFDPVANYRAARIICTIGPSTQSVEALKGLIQSGMSVARMNFSHGSHEYHQTTINNVRQAAAEL--GVNIAIALDTKGPEIRTGQFVGGDAVMERGATCYVTTDPAFADK` `:` `1a3w(B) : *****SRLERLTSLsDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGSYEYHKSVIDNARKSE-ELYPGRPLAIALDTKGPEIRTGTTTN-DpIPPNHEMIF-TTDDKYA-K` `_________________________________________________________________________________________90_____________________________` `______126____133_______________________________________175______________________________________________________________` `3hqp(I) : GTKDKF-YIDYQNLSKVVRPGNYIYIDDGILILQVQSHEDEQTLECTVTNSHTISDRRGVNLPGCDVDLPAVSAKDRVDLQFGVEQGVDMIFASFIRSAEQVGDVRKALGPKGRDIMIIC` `:` `1a3w(B) : ACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLEVVD--tLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVHMVFASFIRTANDVLTIREVLGEQGKDVKIIV` `______128____135_______________________________________177______________________________________________________________` `________________________________________________________________________________________________________________________` `3hqp(I) : KIENHQGVQNIDSIIEESDGIMVARGDLGVEIPAEKVVVAQKILISKCNVAGKPVICATQMLESMTYNPRPTRAEVSDVANAVFNGADCVMLSGETAKGKYPNEVVQYMARICLEAQSAL` `:` `1a3w(B) : KIENQQGVNNFDEILKVTDGVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNPRPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQAI` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `3hqp(I) : NEYVFFNSIKKLQHIPMSADEAVCSSAVNSVYETKAKAMVVLSNTGRSARLVAKYRPNCPIVCVTTRLQTCRQLNITQGVESVFFDADKLGH-DEGKEHRVAAGVEFAKSKGYVQTGDYC` `:` `1a3w(B) : AYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTPRLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEARINFGIEKAKEFGILKKGDTY` `________________________________________________________________________________________________________________________` `______________________` `3hqp(I) : VVIHADHKVKGYANQTRILLVE` `:` `1a3w(B) : VSIQGFKAGAGHSNTLQVSTV` `______________________`

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)	27.3
Translation (A)	-0.3
Closure (%)	98.6
Bending Residues ( green )	89 - 90 126 - 127 129 - 130 133 - 135 175 - 176
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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