3OT8 Chain A
Serine/threonine-protein kinase Chk1 (CHEK1)
Active — 100.0%DFG-inαC-inType1 · MI5
Resolution
1.65 Å
R-value
0.179
Predicted activity confidence100.0%
Structure info
Alternate conformationB
Missing atoms3
Missing residues2
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
PFVEDWDLVQTLGEGGEVQLAVNRVTEEAVAVKIVDMNIKKEICINKMLNHENVVKFYGHRRQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKG
UniProt reference sequence
WDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWY
Aligned reference sequence
WDLV----------------QTLGEGA----------------YGEVQLAVN--RV------------------------------------TEEAVAVKIVD--MKRAVDC---------------------------PENIKKEICINKML--------------------------NHENVVKFYGHRREGN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IQYLFLEYCSG--------------GELFDRIEP--DI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMPEPDAQRFFHQLMAGVVYLHGI---------------------------------------------GITHRDI-----KPENLLLDE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RDNLKISDFGLATVFRYNNRE--RLL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKMCGTLPYVAPELLKR--------------------------------REFHAEPVDVWSCGIVLTAMLAG-----------------ELPWDQ--P-----------------------------------------------SDSCQEYSDWKEK--KTYLNPWKKID----------------------------------------------------------------------------------------------------SAPLALLHKILVENPSARIT--------------IPDIKKDRWY
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
WDLV----------------QTLGEG------------------GEVQLAVN--RV------------------------------------TEEAVAVKIVD--M-----------------------------------NIKKEICINKML--------------------------NHENVVKFYGHRR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QYLFLEYCSG--------------GELFDRIEP--DI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMPEPDAQRFFHQLMAGVVYLHGI---------------------------------------------GITHRDI-----KPENLLLDE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RDNLKISDFGLATVFRYNNRE--RLL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKMCGTLPYVAPELLKR--------------------------------REFHAEPVDVWSCGIVLTAMLAG-----------------ELPWDQ--P-----------------------------------------------SDSCQEYSDWKEK--KTYLNPWKKID----------------------------------------------------------------------------------------------------SAPLALLHKILVENPSARIT--------------IPDIKKDRWY
Activation segment
DFGLATVFRYNNRE--RLL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKMCGTLPYVAPE
Binding pocket
QTLGEG__GEVQLVAVKIVNIKKEICINKMLNENVVKFYGHYLFLEYCSGGELFDRIEPYLHGIGITHRDIKPENLLLISDFGLA
Ligand info
Orthosteric ligand
MI5
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3OT8, Chain A