Sars-Cov-2 Main Protease

(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 Sars-Cov-2 Main Protease
  Conformer 1
(PDB) 		6lu7 (A)
  Conformer 2
(PDB) 		2pwx (A)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)		 Residues
1 180 1.27   12 - 192
2 98 1.0   193 - 296

Sequence


           ________________________________________________________________________________________________________________________ 
 6lu7(A) : SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNG 
         :                                                                                                                          
 2pwx(A) : ***RKMAFPSAKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNG 
           ________________________________________________________________________________________________________________________ 

           ____________________________________________________________________191_________________________________________________ 
 6lu7(A) : SPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE 
         :                                                                                                                          
 2pwx(A) : SPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDY-cVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLN---tTLNDFNLVAMKYNYE 
           ____________________________________________________________________191_________________________________________________ 

           __________________________________________________________________                                                       
 6lu7(A) : PLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ                                                       
         :                                                                                                                          
 2pwx(A) : PLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGM---tILGSTILEDEFTPFDVVRQ*******                                                       
           __________________________________________________________________                                                       

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) 		35.0
Translation
(A) 		0.1
Closure
(%) 		95.0
Bending Residues
( green ) 		  191 - 198
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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