4A9T Chain A
Serine/threonine-protein kinase Chk2 (CHEK2)
Inactive — 3.8%DFG-inαC-inType1 · A9T
Resolution
2.7 Å
R-value
0.191
Predicted activity confidence3.8%
Structure info
Alternate conformation—
Missing atoms15
Missing residues3
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
MSVYPKALRDEYIMSKTLGSGEVKLAFERKTCKKVAIKIISKPALNVETEIEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLA
UniProt reference sequence
YIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRKFAIGSAREADPALNVETEIEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWL
Aligned reference sequence
YIMS----------------KTLGSGA----------------CGEVKLAFE--RK------------------------------------TCKKVAIKIIS--KRKFAIGSAREADP--------------------ALNVETEIEILKKL--------------------------NHPCIIKIKNFFDAE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DYYIVLELMEG--------------GELFDKVVG--NK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLKEATCKLYFYQMLLAVQYLHEN---------------------------------------------GIIHRDL-----KPENVLLSS--QEE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DCLIKITDFGHSKILGETSLM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTLCGTPTYLAPEVLVS--VGT---------------------------AGYN-RAVDCWSLGVILFICLSG-----------------YPPFSE--H-----------------------------------------------RTQVSLKDQITSG--KYNFIPEVWAEVS--------------------------------------------------------------------------------------------------EKALDLVKKLLVVDPKARFT--------------TEEALRHPWL
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YIMS----------------KTLGS-------------------GEVKLAFE--RK------------------------------------TCKKVAIKIIS--K------------P--------------------ALNVETEIEILKKL--------------------------NHPCIIKIKNFFDAE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DYYIVLELMEG--------------GELFDKVVG--NK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLKEATCKLYFYQMLLAVQYLHEN---------------------------------------------GIIHRDL-----KPENVLLSS--QEE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DCLIKITDFGHSKILGETSLM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTLCGTPTYLAPEVLVS--VGT---------------------------AGYN-RAVDCWSLGVILFICLSG-----------------YPPFSE--H-----------------------------------------------RTQVSLKDQITSG--KYNFIPEVWAEVS--------------------------------------------------------------------------------------------------EKALDLVKKLLVVDPKARFT--------------TEEALRHPWL
Activation segment
DFGHSKILGETSLM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTLCGTPTYLAPE
Binding pocket
KTLGSG___EVKLVAIKIINVETEIEILKKLNPCIIKIKNFYIVLELMEGGELFDKVVGYLHENGIIHRDLKPENVLLITDFGHS
Ligand info
Orthosteric ligand
A9T
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 4A9T, Chain A