4B9D Chain B
Serine/threonine-protein kinase Nek1 (NEK1)
Inactive — 1.6%DFG-outαC-outType1 · CK7
Resolution
1.9 Å
R-value
0.196
Predicted activity confidence1.6%
Structure info
Alternate conformationB
Missing atoms13
Missing residues5
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
HHHHVDLGTENLYFQSMEKYVRLQKIGKAILVKSTEDGRQYVIKEINISRMSSKEREESRREVAVLANMKHPNIVQYRESFEENGSLYIVMDYCEGGDLFKRINAQKGVLFQEDQILDWFVQICLALKHVHDRKILHRDIKSQNIFLTKDGTVQLGDFGIARVLNSTVELARACIGTPYYLSPEICENKPYNNKSDIWALGCVLYELCTLKHAFEAGSMKNLVLKIISGSFPPVSLHYSYDLRSLVSQLFKRNPRDRPSVNSILEKGFIAKRIEKFLSPQLIAEEFCLKTFSKFG
UniProt reference sequence
YVRLQKIGEGSFGKAILVKSTEDGRQYVIKEINISRMSSKEREESRREVAVLANMKHPNIVQYRESFEENGSLYIVMDYCEGGDLFKRINAQKGVLFQEDQILDWFVQICLALKHVHDRKILHRDIKSQNIFLTKDGTVQLGDFGIARVLNSTVELARTCIGTPYYLSPEICENKPYNNKSDIWALGCVLYELCTLKHAFEAGSMKNLVLKIISGSFPPVSLHYSYDLRSLVSQLFKRNPRDRPSVNSILEKGFI
Aligned reference sequence
YVRL----------------QKIGEGS----------------FGKAILVKS--TE------------------------------------DGRQYVIKEIN--ISRMSSKE--------------------------REESRREVAVLANM--------------------------KHPNIVQYRESFEENG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SLYIVMDYCEG--------------GDLFKRINA--QKGV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFQEDQILDWFVQICLALKHVHDR---------------------------------------------KILHRDI-----KSQNIFLTK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGTVQLGDFGIARVLNSTVEL--A---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTCIGTPYYLSPEICEN--------------------------------KPYN-NKSDIWALGCVLYELCTL-----------------KHAFEA--------------------------------------------------GSMKNLVLKIISG--SFPPVSLHYS-----------------------------------------------------------------------------------------------------YDLRSLVSQLFKRNPRDRPS--------------VNSILEKGFI
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YVRL----------------QKI---------------------GKAILVKS--TE------------------------------------DGRQYVIKEIN--ISRMSSKE--------------------------REESRREVAVLANM--------------------------KHPNIVQYRESFEENG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SLYIVMDYCEG--------------GDLFKRINA--QKGV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFQEDQILDWFVQICLALKHVHDR---------------------------------------------KILHRDI-----KSQNIFLTK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGTVQLGDFGIARVLNSTVEL--A---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RACIGTPYYLSPEICEN--------------------------------KPYN-NKSDIWALGCVLYELCTL-----------------KHAFEA--------------------------------------------------GSMKNLVLKIISG--SFPPVSLHYS-----------------------------------------------------------------------------------------------------YDLRSLVSQLFKRNPRDRPS--------------VNSILEKGFI
Activation segment
DFGIARVLNSTVEL--A---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RACIGTPYYLSPE
Binding pocket
QKIG_____KAILYVIKEIESRREVAVLANMKPNIVQYRESYIVMDYCEGGDLFKRINAHVHDRKILHRDIKSQNIFLLGDFGIA
Ligand info
Orthosteric ligand
CK7
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 4B9D, Chain B