DynDom - Protein Domain Motions

Shp-2

(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	Shp-2
Conformer 1 (PDB)	2shp (A)
Conformer 2 (PDB)	6crf (A)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	83	1.09	107 - 217
2	100	1.46	4 - 106
3	277	0.75	218 - 523

Sequence

`________________________________________________________________________________________________________106_____________` `2shp(A) : **KSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDLTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSG` `:` `6crf(A) : GMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAKLVQYYMEHHGQLK---gDVIELKYPLNCADPTSERWFHGHLSG` `________________________________________________________________________________________________________106_____________` `________________________________________________________________________________________215_____________________________` `2shp(A) : KEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDnDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSK--gFWEEFE` `:` `6crf(A) : KEAEKLLTEKGKHGSFLVRE------dFVLSVRT-------kVTHVMIRC---kYDVGGGERFDSLTDLVEHYKKNPM-------lQLKQPLNTTRINAAEIESRVRELSKLqGFWEEFE` `________________________________________________________________________________________215_____________________________` `________________________________________________________________________________________________________________________` `2shp(A) : TLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHD-------sDYINANIIMPkKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVM` `:` `6crf(A) : TLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPk-SYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVM` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `2shp(A) : RVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSG` `:` `6crf(A) : RVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSG` `________________________________________________________________________________________________________________________` `______________________` `2shp(A) : MVQTEAQYRSIYMAVQHYIETL` `:` `6crf(A) : MVQTEAQYRFIYMAVQHYIETL` `______________________`

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)	67.6
Translation (A)	-0.9
Closure (%)	62.2
Bending Residues ( green )	106 - 108
Bending Region Analysis

Property	Value
Fixed Domain ( blue )	1
Moving Domain ( yellow )	3
Rotation Angle (deg)	125.8
Translation (A)	-0.7
Closure (%)	7.6
Bending Residues ( green )	215 - 219
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification: Hinge

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

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

Movement classification: Hinge

PyMOL Script

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