4BDF Chain A
Serine/threonine-protein kinase Chk2 (CHEK2)
Inactive — 5.2%DFG-inαC-inType1 · H3R
Resolution
2.7 Å
R-value
0.183
Predicted activity confidence5.2%
Structure info
Alternate conformation—
Missing atoms35
Missing residues4
Salt bridge (KinCore)Saltbr-none
Sequence info
PDB sequence
MSVYPKALRDEYIMSKTLGGEVKLAFERKTCKKVAIKIISKNVETEIEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVL
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----------------KTLG--------------------GEVKLAFE--RK------------------------------------TCKKVAIKIIS--K-----------------------------------NVETEIEILKKL--------------------------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
KTLG____GEVKLVAIKIINVETEIEILKKLNPCIIKIKNFYIVLELMEGGELFDKVVGYLHENGIIHRDLKPENVLLITDFGHS
Ligand info
Orthosteric ligand
H3R
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 4BDF, Chain A