6-Deoxyerythronolide B Synthase

(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 6-Deoxyerythronolide B Synthase
  Conformer 1
(PDB)
2hg4 (A)
  Conformer 2
(PDB)
2hg4 (E)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 440 0.34   39 - 456   473 - 473   475 - 476   478 - 483   496 - 501   509 - 512   536 - 536   882 - 887   891 - 899
2 21 0.57   18 - 38
3 395 0.48   457 - 472   474 - 474   477 - 477   484 - 495   502 - 508   513 - 535   537 - 881   888 - 890

Sequence


           ____________________________38__________________________________________________________________________________________ 
 2hg4(A) : EEKLRRYLKRTVTELDSVTARLREVEHRAGEPIAIVGaCRFPGDVDSPESFWEFVSGGGDAIAEAPADRGWEPDPDARLGGlAAAGDFDAGFFGISPREALAdPQQRIlEISWEALERAG 
         :                                                                                                                          
 2hg4(E) : *******LKRTVTELDSVTARLREVEHRAGEPIAIVGaCRFPGDVDSPESFWEFVSGGGDAIAEAPADRGWEPDPDARLGGlAAAGDFDAGFFGISPREALAdPQQRIlEISWEALERAG 
           ____________________________38__________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 2hg4(A) : HDPVSLRGSATGVFTGVGTVDYGPRPDEAPDEVLGYVGTGTASSVASGRVAYCLGLEGPAtVDTACSSGLTALHLAeSLRRDECGLALAGGVTVsSPGAFTEFRSQGGLAADGRCKPFSK 
         :                                                                                                                          
 2hg4(E) : HDPVSLRGSATGVFTGVGTVDYGPRPDEAPDEVLGYVGTGTASSVASGRVAYCLGLEGPAtVDTACSSGLTALHLAeSLRRDECGLALAGGVTVsSPGAFTEFRSQGGLAADGRCKPFSK 
           ________________________________________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 2hg4(A) : AADGFGLAEGAGVLVLQRLSAARREGRPVLAVLRGSAVNQDGASNGLTAPSGPAQQRVIRRALENAGVRAGDVDYVEAHGTGTRLGDPIEVHALLSTYGAERDPDDPLWIGSVKSNIGHT 
         :                                                                                                                          
 2hg4(E) : AADGFGLAEGAGVLVLQRLSAARREGRPVLAVLRGSAVNQDGASNGLTAPSGPAQQRVIRRALENAGVRAGDVDYVEAHGTGTRLGDPIEVHALLSTYGAERDPDDPLWIGSVKSNIGHT 
           ________________________________________________________________________________________________________________________ 

           __________________________________________________________________________455______472_______483_________495___501____50 
 2hg4(A) : QAAAGVAGVkAVLALRHGEpRTLHFDEPSPQIEW--aVSVVSQARSWPAGERPRRAGVSSFGISGTNAHVIVEEAPEADgPVPLVLSGRDEQArAQAGRLADHLAREPRNSLRDTGFTLA 
         :                                                                                                                          
 2hg4(E) : QAAAGVAGVkAVLALRHGEpRTLHFDEPSPQIEWDLaVSVVSQARSWPAGERPRRAGVSSFGISGTNAHVIVEEAPEADgPVPLVLSGRDEQArAQAGRLADHLAREPRNSLRDTGFTLA 
           __________________________________________________________________________455______472_______483_________495___501____50 

           8_512____________________535____________________________________________________________________________________________ 
 2hg4(A) : TRRSAWEHRAVVVGDRDEALAGLRAVADGRIADRTATGQARTRRGVAvFPGQGAQWQGaRDLLRESQVFADSIRDCERALAPHVDWSLTDLLSGARPLDRVDVVQPALFAVvSLAALWRS 
         :                                                                                                                          
 2hg4(E) : TRRSAWEHRAVVVGDRDEALAGLRAVADGRIADRTATGQARTRRGVAvFPGQGAQWQGaRDLLRESQVFADSIRDCERALAPHVDWSLTDLLSGARPLDRVDVVQPALFAVvSLAALWRS 
           8_512____________________535____________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 2hg4(A) : HGVEPAAVVGHSQGEIAAAHVAGALTLEDAAKLVAVRSRVLRRLGGQGGaSFGLGTEQAAERIGRFAGALSIASVNGPRSVVVAGESGPLDELIAECEAEAHKARRIPVDYASHSPQVES 
         :                                                                                                                          
 2hg4(E) : HGVEPAAVVGHSQGEIAAAHVAGALTLEDAAKLVAVRSRVLRRLGGQGGaSFGLGTEQAAERIGRFAGALSIASVNGPRSVVVAGESGPLDELIAECEAEAHKARRIPVDYASHSPQVES 
           ________________________________________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 2hg4(A) : LREELLTELAGISPVSADVALYSTTTGQPIDTATdTAYWYANLREQVRFQDATRQLAEAGFDAFVEVSPHPVLTVGIEATLDSALPADAGACVVGTLRRDRGGLADFHTALGEAYAQGVE 
         :                                                                                                                          
 2hg4(E) : LREELLTELAGISPVSADVALYSTTTGQPIDTATdTAYWYANLREQVRFQDATRQLAEAGFDAFVEVSPHPVLTVGIEATLDSALPADAGACVVGTLRRDRGGLADFHTALGEAYAQGVE 
           ________________________________________________________________________________________________________________________ 

           ____879_____887______________                                                                                            
 2hg4(A) : VDWSPAFADARPVELPVYPFQRQRYWLPI                                                                                            
         :                                                                                                                          
 2hg4(E) : VDWSPAFADARPVELPVYPFQRQRYWLPI                                                                                            
           ____879_____887______________                                                                                            

Morph

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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
21.5
Translation
(A)
-0.2
Closure
(%)
69.8
Bending Residues
( green )
  38 - 40
Bending Region Analysis
Property Value
Fixed Domain
( blue )
1
Moving Domain
( yellow )
3
Rotation Angle
(deg)
5.5
Translation
(A)
0.1
Closure
(%)
9.8
Bending Residues
( green )
  455 - 457
  472 - 478
  483 - 484
  495 - 496
  501 - 502
  508 - 509
  512 - 513
  535 - 537
  879 - 883
  887 - 888
  890 - 891
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification:

No Contacts

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

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

Movement classification: Shear

PyMOL Script

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