DynDom - Protein Domain Motions

Protein (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	Protein (Pyruvate Kinase)
Conformer 1 (PDB)	3hqp (A)
Conformer 2 (PDB)	1a3w (A)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	386	1.56	15 - 88 179 - 185 190 - 495
2	91	1.9	89 - 178 186 - 189

Sequence

`________________________________________________________________________________________88______________________________` `3hqp(A) : SQLAHNLTLSIFDPVANYRAARIICTIGPSTQSVEALKGLIQSGMSVARMNFSHGSHEYHQTTINNVRQAAAEL--GVNIAIALDTKGPEIRTGQFVGG-DAVMERGATCYVTTDPAFAD` `:` `1a3w(A) : *****SRLERLTSLsDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGSYEYHKSVIDNARKSE-ELYPGRPLAIALDTKGPEIRTGTTTNDVDYPIPPNHEMIFTTDDKYA-` `________________________________________________________________________________________89______________________________` `___________________________________________________________178____185_189_______________________________________________` `3hqp(A) : KGTKDKF-YIDYQNLSKVVRPGNYIYIDDGILILQVQSHEDEQTLECTVTNSHTISDRRGVNLPGCDVDLPAVSAKDRVDLQFGVEQGVDMIFASFIRSAEQVGDVRKALGPKGRDIMII` `:` `1a3w(A) : KACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLEVVD--tLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVHMVFASFIRTANDVLTIREVLGEQGKDVKII` `___________________________________________________________180____187_191_______________________________________________` `________________________________________________________________________________________________________________________` `3hqp(A) : CKIENHQGVQNIDSIIEESDGIMVARGDLGVEIPAEKVVVAQKILISKCNVAGKPVICATQMLESMTYNPRPTRAEVSDVANAVFNGADCVMLSGETAKGKYPNEVVQYMARICLEAQSA` `:` `1a3w(A) : VKIENQQGVNNFDEILKVTDGVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNPRPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQA` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `3hqp(A) : LNEYVFFNSIKKLQHIPMSADEAVCSSAVNSVYETKAKAMVVLSNTGRSARLVAKYRPNCPIVCVTTRLQTCRQLNITQGVESVFFDADKLGH-DEGKEHRVAAGVEFAKSKGYVQTGDY` `:` `1a3w(A) : IAYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTPRLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEARINFGIEKAKEFGILKKGDT` `________________________________________________________________________________________________________________________` `_______________________` `3hqp(A) : CVVIHADHKVKGYANQTRILLVE` `:` `1a3w(A) : YVSIQGFKAGAGHSNTLQVSTV` `_______________________`

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)	23.5
Translation (A)	0.1
Closure (%)	96.3
Bending Residues ( green )	88 - 89 178 - 179 185 - 186 189 - 190
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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