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)
4due (A)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 363 0.86   5 - 7   19 - 39   52 - 172   233 - 233   238 - 454
2 23 0.47   8 - 18   40 - 51
3 53 0.76   174 - 224   234 - 237

Sequence


           _____7_________18___________________39__________51______________________________________________________________________ 
 4kf2(A) : *KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVD 
         :                                                                                                                          
 4due(A) : IKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTCYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLLTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVD 
           _____7_________18___________________39__________51______________________________________________________________________ 

           ________________________________________________172_______________________________________________224___________________ 
 4kf2(A) : IAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRAdDPAYDENKRQFQEDIKVMNDLVDKIIADRKAS--qSDDLLTHMLNGKDP 
         :                                                                                                                          
 4due(A) : IAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRAdDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDP 
           ________________________________________________172_______________________________________________224___________________ 

           ________________________________________________________________________________________________________________________ 
 4kf2(A) : ETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRD 
         :                                                                                                                          
 4due(A) : ETGEPLDDENIRYQIITFLIAGHESTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRD 
           ________________________________________________________________________________________________________________________ 

           ______________________________________________________________________________________________                           
 4kf2(A) : KTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGG                           
         :                                                                                                                          
 4due(A) : KTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETQLLKPEGFVVKAKSKKIPLG*                           
           ______________________________________________________________________________________________                           

Morph

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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
13.0
Translation
(A)
0.1
Closure
(%)
42.7
Bending Residues
( green )
  7 - 10
  18 - 19
  39 - 40
  51 - 52
Bending Region Analysis
Property Value
Fixed Domain
( blue )
1
Moving Domain
( yellow )
3
Rotation Angle
(deg)
25.7
Translation
(A)
-0.4
Closure
(%)
99.9
Bending Residues
( green )
  172 - 174
  224 - 238
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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