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)
3hf2 (A)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 362 0.7   19 - 39   49 - 170   235 - 453
2 21 0.49   7 - 18   40 - 48
3 33 0.51   171 - 221

Sequence


           ______________18___________________39_______48__________________________________________________________________________ 
 4kf2(A) : KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDI 
         :                                                                                                                          
 3hf2(A) : **MPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDI 
           ______________18___________________39_______48__________________________________________________________________________ 

           _________________________________________166_________________________________________________220________________________ 
 4kf2(A) : AVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRAdDPAYDENKRQFQEDIKVMNDLVDKIIADRKASqSDDLLTHMLNGKDPETG 
         :                                                                                                                          
 3hf2(A) : AVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPH----sMVRALDEAM------------eNKRQFQEDIKVMNDLVDKIIADR---qSDDLLTHMLNGKDPETG 
           _________________________________________166_________________________________________________220________________________ 

           ________________________________________________________________________________________________________________________ 
 4kf2(A) : EPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTI 
         :                                                                                                                          
 3hf2(A) : EPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTI 
           ________________________________________________________________________________________________________________________ 

           ___________________________________________________________________________________________                              
 4kf2(A) : WGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGG                              
         :                                                                                                                          
 3hf2(A) : WGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACPGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL**                              
           ___________________________________________________________________________________________                              

Morph

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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
16.1
Translation
(A)
0.3
Closure
(%)
57.9
Bending Residues
( green )
  18 - 19
  39 - 40
  48 - 49
Bending Region Analysis
Property Value
Fixed Domain
( blue )
1
Moving Domain
( yellow )
3
Rotation Angle
(deg)
21.4
Translation
(A)
-0.4
Closure
(%)
100.0
Bending Residues
( green )
  166 - 177
  220 - 237
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification: Mixed

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

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

Movement classification: Shear

PyMOL Script

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