Inhibitor Of Nuclear Factor Kappa-B Kinase Subunit Beta

(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 Inhibitor Of Nuclear Factor Kappa-B Kinase Subunit Beta
  Conformer 1
(PDB)
4kik (B)
  Conformer 2
(PDB)
3qa8 (A)
  Window Length 5
  Minimum ratio 1.0
  Minimum domain size 20

Domains

Domain Size Backbone RMSD
(A)
Residues
1 552 3.78   18 - 483   528 - 649
2 56 1.7   484 - 527   650 - 661

Sequence


           ________________________________________________________________________________________________________________________ 
 4kik(B) : HSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCLEIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREG 
         :                                                                                                                          
 3qa8(A) : ***************EMKERLGTGGFGYVLRWIHQDTGEQVAIKQCRQELSPKNRERWCLEIQIMKKLNHPNVVSAREVPDGLQKLAPNDLPLLAMEYCEGGDLRKYLNQFENCCGLKEG 
           ________________________________________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 4kik(B) : AILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKEL----lCT-fVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSE 
         :                                                                                                                          
 3qa8(A) : PIRTLLSDISSALRYLHENRIIHRDLKPENIVLQPGPQRLIHKIIDLGYAKELDQGELCTEFVGTLQYLAPELLEQKKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHGKVR---- 
           ________________________________________________________________________________________________________________________ 

           ________________________________________________________________________________________________________________________ 
 4kik(B) : VDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPN-GCFKALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGL 
         :                                                                                                                          
 3qa8(A) : --iVVYDDLTGAVKFSSVLPTPNHLSGILAGKLERWLQCMLMWHQR---tDPQ-NPNVGCFQALDSILSLKLLSVMNMVSGRVHTYPVTENENLQNLKSWLQQDTGIPEEEQELLQASGL 
           ________________________________________________________________________________________________________________________ 

           _______________________________________________________________________________________________________________________4 
 4kik(B) : ALIPDKPATQ-CISlNEGHTLDMDLVFLFDNSKITYETQISPRPQPESVSCILQEPKRNLAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLKA 
         :                                                                                                                          
 3qa8(A) : ALNSAQPLTQYVIDCTVg-----DLIFLFDNRKiSLPAH------PESVSIVLQDPKRPLTYTHLRRVWGQIWQTIRALKEDCARLLQGQRTSMVNLLRYNTELSKKKNSMTSECEQLKA 
           _______________________________________________________________________________________________________________________4 

           83_________________________________________527__________________________________________________________________________ 
 4kik(B) : KLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMALQTDIVDLQRSgTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQSFEKKVRVI 
         :                                                                                                                          
 3qa8(A) : KLDFFRSSIQIDLEKYSEQMEFGITSEKLLSAWREMEQAVELCGREREVQALVDKMMALQTDSVDLQRNPtLDDLEEQARDLYRRLRERPRDQRTPGDSNDMVRLLILAIQSFEKRVILI 
           83_________________________________________527__________________________________________________________________________ 

           ______________________________________649_________________                                                               
 4kik(B) : YTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKIACS***                                                               
         :                                                                                                                          
 3qa8(A) : YDQLSKTVVCKRKALELSPKVKEVMNLMREDEKIVVRRQEKRQQELWNLLKIACSKVR                                                               
           ______________________________________649_________________                                                               

Morph

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Domain Pairs

Property Value
Fixed Domain
( blue )
1
Moving Domain
( red )
2
Rotation Angle
(deg)
25.6
Translation
(A)
1.2
Closure
(%)
87.3
Bending Residues
( green )
  483 - 484
  527 - 528
  649 - 650
Bending Region Analysis

Dynamic Contact Graph

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

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

Movement classification: Shear

PyMOL Script

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