2XNN Chain A
Serine/threonine-protein kinase Nek2 (NEK2)
Inactive — 0.0%DFG-outαC-outType1 · 430
Resolution
2.5 Å
R-value
0.175
Predicted activity confidence0.0%
Structure info
Alternate conformationA
Missing atoms44
Missing residues12
Salt bridge (KinCore)Saltbr-none
Sequence info
PDB sequence
SRAEDYEVLYTIGTYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSRDLKPANVFLDGKQNVKLGDFGFVGTPYYMSPEQMNRYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLILEHHHHHH
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------------------YGRCQKIRR--KS------------------------------------DGKILVWKELD--YGSMTEAE--------------------------KQMLVSEVNLLREL--------------------------KHPNIVRYYDRIIDRT--NT----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TLYIVMEYCEG--------------GDLASVITK--GTKERQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLDEEFVLRVMTQLTLALKECHRR--S----------------------------------------------RDL-----KPANVFLDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KQNVKLGDFG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FVGTPYYMSPEQMNR----------------------------------YN-EKSDIWSLGCLLYELCAL-----------------MPPFTA--------------------------------------------------FSQKELAGKIREG--KFRRIPYRYS-----------------------------------------------------------------------------------------------------DELNEIITRMLNLKDYHRPS--------------VEEILENPLI
Activation segment
DFG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FVGTPYYMSPE
Binding pocket
YTIGT__YGRCQKLVWKELMLVSEVNLLRELKPNIVRYYDRYIVMEYCEGGDLASVITKS________RDLKPANVFLLGDFG__
Ligand info
Orthosteric ligand
430
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 2XNN, Chain A