4E3C Chain A
Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB)
Inactive — 0.0%DFG-inαC-in
Resolution
3.98 Å
R-value
0.267
Predicted activity confidence0.0%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
EMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCLEIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREGAILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGELCTEFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSEVDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRTDPTYGPNGCFKALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLALIPDKPATQCISDDMDLVFLFDNSKISPRPQPESVSCILQEPKRNLAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLKAKLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMALQTDIVDLQRSTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQSFEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKIACSKV
UniProt reference sequence
WEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCLEIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREGAILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCTSFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSEVDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCFKALDDILN
Aligned reference sequence
WEMK----------------ERLGTGG----------------FGNVIRWHN--QE------------------------------------TGEQIAIKQCR--QELSPRN---------------------------RERWCLEIQIMRRL--------------------------THPNVVAARDVPEGMQ--NLAPND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPLLAMEYCQG--------------GDLRKYLNQ--FENCC----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLREGAILTLLSDIASALRYLHEN---------------------------------------------RIIHRDL-----KPENIVLQQ--GEQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLIHKIIDLGYAKELDQGSLC------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TSFVGTLQYLAPELLEQ--------------------------------QKYT-VTVDYWSFGTLAFECITG-----------------FRPFLP--N-----------------------------------------------WQPVQWHSKVRQK--SEVDIVVSEDLNGTVKFSSSLPYPNNLNSVLA-------------------------------------------------------------------------------ERLEKWLQLMLMWHPRQRGT--DPTYGPNG----CFKALDDILN
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
-EMK----------------ERLGTGG----------------FGNVIRWHN--QE------------------------------------TGEQIAIKQCR--QELSPRN---------------------------RERWCLEIQIMRRL--------------------------THPNVVAARDVPEGMQ--NLAPND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPLLAMEYCQG--------------GDLRKYLNQ--FENCC----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLREGAILTLLSDIASALRYLHEN---------------------------------------------RIIHRDL-----KPENIVLQQ--GEQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLIHKIIDLGYAKELDQGELC------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TEFVGTLQYLAPELLEQ--------------------------------QKYT-VTVDYWSFGTLAFECITG-----------------FRPFLP--N-----------------------------------------------WQPVQWHSKVRQK--SEVDIVVSEDLNGTVKFSSSLPYPNNLNSVLA-------------------------------------------------------------------------------ERLEKWLQLMLMWHPR---T--DPTYGPNG----CFKALDDILN
Activation segment
DLGYAKELDQGELC------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TEFVGTLQYLAPE
Binding pocket
RLGTGGFGNVIRWIAIKQCRWCLEIQIMRRLTPNVVAARDVLLAMEYCQGGDLRKYLNQYLHENRIIHRDLKPENIVLIIDLGYA
Ligand info
Orthosteric ligand
None
Allosteric ligand
None
Ligand typeNo_ligand
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4E3C, Chain A