3EQR Chain B
Activated CDC42 kinase 1 (TNK2)
Active — 54.5%DFG-inαC-inType1.5_Back · T74
Resolution
2.0 Å
R-value
0.212
Predicted activity confidence54.5%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
LTCLIGEKDLRLLEKLGDGSFGVVRRGEWDAPSGKTVSVAVKCLKPDVLSQPEAMDDFIREVNAMHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGMGYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHYVMRKVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPTFVALRDFLLEAQP
UniProt reference sequence
LRLLEKLGDGSFGVVRRGEWDAPSGKTVSVAVKCLKPDVLSQPEAMDDFIREVNAMHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGMGYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHYVMQEHRKVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPTFVALRDFLLE
Aligned reference sequence
LRLL----------------EKLGDGS----------------FGVVRRGEW--DAPSG---------------------------------KTVSVAVKCLK--PDVLSQPEA-------------------------MDDFIREVNAMHSL--------------------------DHRNLIRLYGVVLTP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PMKMVTELAPL--------------GSLLDRLRK--HQG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HFLLGTLSRYAVQVAEGMGYLESK---------------------------------------------RFIHRDL-----AARNLLLAT--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RDLVKIGDFGLMRALPQNDDH--YVMQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EHRKVPFAWCAPESLKT--------------------------------RTFS-HASDTWMFGVTLWEMFTY--G--------------QEPWIG--------------------------------------------------LNGSQILHKIDKE--GERLPRPEDCP----------------------------------------------------------------------------------------------------QDIYNVMVQCWAHKPEDRPT--------------FVALRDFLLE
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LRLL----------------EKLGDGS----------------FGVVRRGEW--DAPSG---------------------------------KTVSVAVKCLK--PDVLSQPEA-------------------------MDDFIREVNAMHSL--------------------------DHRNLIRLYGVVLTP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PMKMVTELAPL--------------GSLLDRLRK--HQG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HFLLGTLSRYAVQVAEGMGYLESK---------------------------------------------RFIHRDL-----AARNLLLAT--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RDLVKIGDFGLMRALPQNDDH--YVM---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RKVPFAWCAPESLKT--------------------------------RTFS-HASDTWMFGVTLWEMFTY--G--------------QEPWIG--------------------------------------------------LNGSQILHKIDKE--GERLPRPEDCP----------------------------------------------------------------------------------------------------QDIYNVMVQCWAHKPEDRPT--------------FVALRDFLLE
Activation segment
DFGLMRALPQNDDH--YVM---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RKVPFAWCAPE
Binding pocket
EKLGDGSFGVVRRVAVKCLDFIREVNAMHSLDRNLIRLYGVKMVTELAPLGSLLDRLRKYLESKRFIHRDLAARNLLLIGDFGLM
Ligand info
Orthosteric ligand
T74
Allosteric ligand
None
Ligand typeType1.5_Back
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3EQR, Chain B