1U54 Chain A
Activated CDC42 kinase 1 (TNK2)
Inactive — 29.6%DFG-inαC-inATPlike · ACP
Resolution
2.8 Å
R-value
0.226
Predicted activity confidence29.6%
Structure info
Alternate conformation—
Missing atoms0
Missing residues3
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
QSLTCLIGEKDLRLLEKLGDGVVRRGEWDAPSGKTVSVAVKCLAMDDFIREVNAMHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGMGYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHVMQEHRVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPTFVALRDFLLEAQP
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----------------EKLGD-------------------GVVRRGEW--DAPSG---------------------------------KTVSVAVKCL-----------A-------------------------MDDFIREVNAMHSL--------------------------DHRNLIRLYGVVLTP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PMKMVTELAPL--------------GSLLDRLRK--HQG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HFLLGTLSRYAVQVAEGMGYLESK---------------------------------------------RFIHRDL-----AARNLLLAT--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RDLVKIGDFGLMRALPQNDDH---VMQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EHR-VPFAWCAPESLKT--------------------------------RTFS-HASDTWMFGVTLWEMFTY--G--------------QEPWIG--------------------------------------------------LNGSQILHKIDKE--GERLPRPEDCP----------------------------------------------------------------------------------------------------QDIYNVMVQCWAHKPEDRPT--------------FVALRDFLLE
Activation segment
DFGLMRALPQNDDH---VMQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EHR-VPFAWCAPE
Binding pocket
EKLGDG___VVRRVAVKCLDFIREVNAMHSLDRNLIRLYGVKMVTELAPLGSLLDRLRKYLESKRFIHRDLAARNLLLIGDFGLM
Ligand info
Orthosteric ligand
ACP
Allosteric ligand
None
Ligand typeATPlike
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 1U54, Chain A