Bifunctional P-450/nadph-P450 Reductase

(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 Bifunctional P-450/nadph-P450 Reductase
  Conformer 1
(PDB)
4kf2 (A)
  Conformer 2
(PDB)
3ben (B)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 364 0.82   5 - 6   19 - 39   48 - 173   232 - 233   238 - 261   267 - 455
2 20 0.42   7 - 18   40 - 47
3 63 1.32   174 - 231   234 - 237   262 - 266

Sequence


           _____6__________18___________________39______47_________________________________________________________________________ 
 4kf2(A) : **KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMV 
         :                                                                                                                          
 3ben(B) : TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMV 
           _____6__________18___________________39______47_________________________________________________________________________ 

           __________________________________________________173_______________________________________________________231___237___ 
 4kf2(A) : DIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRA--dDPAYDENKRQFQEDIKVMNDLVDKIIADRKAS--qSDDLLTHMLNG 
         :                                                                                                                          
 3ben(B) : DIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNG 
           __________________________________________________173_______________________________________________________231___237___ 

           _________________260___266______________________________________________________________________________________________ 
 4kf2(A) : KDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQL 
         :                                                                                                                          
 3ben(B) : KDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQL 
           _________________260___266______________________________________________________________________________________________ 

           _________________________________________________________________________________________________                        
 4kf2(A) : HRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGG                        
         :                                                                                                                          
 3ben(B) : HRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGG                        
           _________________________________________________________________________________________________                        

Morph

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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
16.1
Translation
(A)
0.0
Closure
(%)
53.1
Bending Residues
( green )
  6 - 8
  18 - 19
  39 - 40
  47 - 48
Bending Region Analysis
Property Value
Fixed Domain
( blue )
1
Moving Domain
( yellow )
3
Rotation Angle
(deg)
18.1
Translation
(A)
-0.4
Closure
(%)
99.5
Bending Residues
( green )
  173 - 174
  231 - 234
  237 - 238
  260 - 262
  266 - 271
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification: Shear

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

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

Movement classification: Hinge

PyMOL Script

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