DynDom - Protein Domain Motions

M-Calpain

(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	M-Calpain
Conformer 1 (PDB)	1df0 (A)
Conformer 2 (PDB)	1kxr (A)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	182	1.58	25 - 96 98 - 107 111 - 210
2	81	2.11	97 - 97 108 - 110 211 - 340

Sequence

`_____________________________________________________________________________________88________________107______________` `1df0(A) : AGIAMKLAKDREAAEGLGSHERAIKYLNQDYETLRNECLEAGALFQDPSFPALPSSLGFKELGPYSSKTRGIEWKRPTEICADPQFIIGGATRTDICQGALGDSWLLAAIASLTLNEEIL` `:` `1kxr(A) : *******************NAIKYLGQDYENLRARCLQNGVLFQDDAFPPVSHSLGFKELGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDSWLLAAIASLTLNETIL` `_____________________________________________________________________________________98________________117______________` `______________________________________________________________________________________210_______________________________` `1df0(A) : ARVVPLDQSFQENYAGIFHFQFWQYGEWVEVVVDDRLPTKDGELLFVHSAEGSEFWSALLEKAYAKINGCYEALSGGATTEGFEDFTGGIAEWYELRKPPPNLFKIIQKALEKGSLLGCS` `:` `1kxr(A) : HRVVPYGQSFQEGYAGIFHFQLWQFGEWVDVVVDDLLPTKDGKLVFVHSAQGNEFWSALLEKAYAKVNGSYEALSGGCTSEAFEDFTGGVTEWYDLQKAPSDLYQIILKALERGSLLGCS` `______________________________________________________________________________________220_______________________________` `________________________________________________________________________________________________________________________` `1df0(A) : IDI----------------gHAYSVTGAEEV----qK--LIRIRNPWGQ-------------------------------GEFWMSFSDFLRHYSRLEICNLTPDTLTCDSYKKWKLTKM` `:` `1kxr(A) : INISDIRDLEAITFKNLVRGHAYSVTDAKQVTYQGQRVNLIRMRNPWGEVEWKGPWSDNSYEWNKVDPYEREQLRVKMEDGEFWMSFRDFIREFTKLEICN***************` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `1df0(A) : DGNWRRGSTAGGCRNYPNTFWMNPQYLIKLEEEDEDDEDGRGCTFLVGLIQKHRRRQRKMGEDMHTIGFGIYEVsKNFFLTeRSDTFINLREVLNRFKLPPGEYVLVPSTFEPHKNGDFC` `:` `1kxr(A) : ********************************************************************************************************************` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `1df0(A) : IRVFSEKKADYQTVDDEIEANIEEIANEEDIGDGFRRLFAQLAGEDAEISAFELQTILRRVLAKkSDGFSIETCKIMVDMLDEDGSGKLGLKEFYILWTKIQKYQKIYREIDVDRSGTMN` `:` `1kxr(A) : ********************************************************************************************************************` `________________________________________________________________________________________________________________________` `_____________________________________________________________________________` `1df0(A) : SYEMRKALEEAGFKLPCQLHQVIVARFADDELIIDFDNFVRCLVRLEILFKIFKQLDPENTGTIQLDLISWLSFSVL` `:` `1kxr(A) : ***************************************************************************` `_____________________________________________________________________________`

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)	24.8
Translation (A)	0.7
Closure (%)	40.3
Bending Residues ( green )	88 - 98 107 - 108 110 - 111 210 - 211
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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