5OPU Chain A
Serine/threonine-protein kinase Chk1 (CHEK1)
Active — 100.0%DFG-inαC-inType1 · A3K
Resolution
1.55 Å
R-value
0.172
Predicted activity confidence100.0%
Structure info
Alternate conformation—
Missing atoms12
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
VPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMNIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK
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----------------QTLGEGA----------------YGEVQLAVN--RV------------------------------------TEEAVAVKIVD--M-----------------------------------NIKKEICILKML--------------------------NHENVIKFYGHRREGN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IQYLFMELASG--------------GSLFDRIEP--DI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMPEPDAQRFFHQLMAGVVYLHGI---------------------------------------------GITHRDI-----KPHNLLLDE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RDNLKIADYSLATVFRYNNRE--RLL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKMCGTLPYVAPELLKR--------------------------------REFHAEPVDVWSCGIVLTAMLAG-----------------ELPWDQ--P-----------------------------------------------SDSCQEYSDWKEK--KTYLNPWKKID----------------------------------------------------------------------------------------------------SAPLALLHKILVENPSARIT--------------IPDIKKDRWY
Activation segment
DYSLATVFRYNNRE--RLL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKMCGTLPYVAPE
Binding pocket
QTLGEGAYGEVQLVAVKIVNIKKEICILKMLNENVIKFYGHYLFMELASGGSLFDRIEPYLHGIGITHRDIKPHNLLLIADYSLA
Ligand info
Orthosteric ligand
A3K
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 5OPU, Chain A