2XKE Chain A
Serine/threonine-protein kinase Nek2 (NEK2)
Inactive — 0.1%DFG-inαC-outType1 · WI2
Resolution
2.2 Å
R-value
0.178
Predicted activity confidence0.1%
Structure info
Alternate conformation—
Missing atoms11
Missing residues15
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
SRAEDYEVLYTIGTGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDLKPANVFLDGKQNVKLGDFTPYYMSPEQMNNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLILEHHHHHH
UniProt reference sequence
YEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLI
Aligned reference sequence
YEVL----------------YTIGTGS----------------YGRCQKIRR--KS------------------------------------DGKILVWKELD--YGSMTEAE--------------------------KQMLVSEVNLLREL--------------------------KHPNIVRYYDRIIDRT--NT----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TLYIVMEYCEG--------------GDLASVITK--GTKERQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLDEEFVLRVMTQLTLALKECHRR--SDGGH--------------------------------------TVLHRDL-----KPANVFLDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KQNVKLGDFGLARILNHDTSF--A---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KTFVGTPYYMSPEQMNR--------------------------------MSYN-EKSDIWSLGCLLYELCAL-----------------MPPFTA--------------------------------------------------FSQKELAGKIREG--KFRRIPYRYS-----------------------------------------------------------------------------------------------------DELNEIITRMLNLKDYHRPS--------------VEEILENPLI
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YEVL----------------YTIGT-------------------GRCQKIRR--KS------------------------------------DGKILVWKELD--YGSMTEAE--------------------------KQMLVSEVNLLREL--------------------------KHPNIVRYYDRIIDRT--NT----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TLYIVMEYCEG--------------GDLASVITK--GTKERQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLDEEFVLRVMTQLTLALKECHRR--S-----------------------------------------------DL-----KPANVFLDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KQNVKLGDF-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TPYYMSPEQMN------------------------------------N-EKSDIWSLGCLLYELCAL-----------------MPPFTA--------------------------------------------------FSQKELAGKIREG--KFRRIPYRYS-----------------------------------------------------------------------------------------------------DELNEIITRMLNLKDYHRPS--------------VEEILENPLI
Activation segment
DF-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TPYYMSPE
Binding pocket
YTIGTG___RCQKLVWKELMLVSEVNLLRELKPNIVRYYDRYIVMEYCEGGDLASVITKSD_________LKPANVFLLGDF___
Ligand info
Orthosteric ligand
WI2
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 2XKE, Chain A