4KIK Chain A
Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB)
Inactive — 0.4%DFG-inαC-inType1 · KSA
Resolution
2.83 Å
R-value
0.186
Predicted activity confidence0.4%
Structure info
Alternate conformationB
Missing atoms0
Missing residues4
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
TQTCGAWEMKERLGTGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCLEIQIMRRLTHPNVVAARDVPEGMQNDLPLLAMEYCQGGDLRKYLNQFENCCGLREGAILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYTSFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSEVDIVVSEDLNGTVKFSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCFKALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLALIPDKPATQCISLNEGHTLDMDLVFLFDNSKITYETQRPQPESVSCILQEPKRNLAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLKAKLDFFKTSIQIDLEKYSEQTDKLLLAWREMEQAVELCGRENEVKLLVERMMALQTDIVDLQRSGTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQSFEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKIACS
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
WEMK----------------ERLGT-------------------GNVIRWHN--QE------------------------------------TGEQIAIKQCR--QELSPRN---------------------------RERWCLEIQIMRRL--------------------------THPNVVAARDVPEGMQ------ND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPLLAMEYCQG--------------GDLRKYLNQ--FENCC----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLREGAILTLLSDIASALRYLHEN---------------------------------------------RIIHRDL-----KPENIVLQQ--GEQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLIHKIIDLGY----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TSFVGTLQYLAPELLEQ--------------------------------QKYT-VTVDYWSFGTLAFECITG-----------------FRPFLP--N-----------------------------------------------WQPVQWHSKVRQK--SEVDIVVSEDLNGTVKF-SSLPYPNNLNSVLA-------------------------------------------------------------------------------ERLEKWLQLMLMWHPRQRGT--DPTYGPNG----CFKALDDILN
Activation segment
DLGY----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TSFVGTLQYLAPE
Binding pocket
ERLGTG___NVIRIAIKQCRWCLEIQIMRRLTPNVVAARDVLLAMEYCQGGDLRKYLNQYLHENRIIHRDLKPENIVLIIDLGY_
Ligand info
Orthosteric ligand
KSA
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4KIK, Chain A