3S95 Chain A
LIM domain kinase 1 (LIMK1)
Active — 99.2%DFG-inαC-inType1 · STU
Resolution
1.65 Å
R-value
0.157
Predicted activity confidence99.2%
Structure info
Alternate conformationA
Missing atoms11
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
SMPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRDLNSHNCLVRENKNVVVADFGLARLMVYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGES
UniProt reference sequence
LIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRDLNSHNCLVRENKNVVVADFGLARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLET
Aligned reference sequence
LIHG----------------EVLGKGC----------------FGQAIKVTH--RE------------------------------------TGEVMVMKELI--RFDEET----------------------------QRTFLKEVKVMRCL--------------------------EHPNVLKFIGVLYKDK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLNFITEYIKG--------------GTLRGIIKS--MDS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QYPWSQRVSFAKDIASGMAYLHSM---------------------------------------------NIIHRDL-----NSHNCLVRE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKNVVVADFGLARLMVDEKTQ--PEGLRSLKKPDRKKR-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YTVVGNPYWMAPEMING--------------------------------RSYD-EKVDVFSFGIVLCEIIGR-------------------------VNADPDYLPRTM------------------------------------DFGLNVRGFLDRY--CPPNCP---------------------------------------------------------------------------------------------------------PSFFPITVRCCDLDPEKRPS--------------FVKLEHWLET
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LIHG----------------EVLGKGC----------------FGQAIKVTH--RE------------------------------------TGEVMVMKELI--RFDEET----------------------------QRTFLKEVKVMRCL--------------------------EHPNVLKFIGVLYKDK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLNFITEYIKG--------------GTLRGIIKS--MDS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QYPWSQRVSFAKDIASGMAYLHSM---------------------------------------------NIIHRDL-----NSHNCLVRE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKNVVVADFGLARLMV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YTVVGNPYWMAPEMING--------------------------------RSYD-EKVDVFSFGIVLCEIIGR-------------------------VNADPDYLPRTM------------------------------------DFGLNVRGFLDRY--CPPNCP---------------------------------------------------------------------------------------------------------PSFFPITVRCCDLDPEKRPS--------------FVKLEHWLET
Activation segment
DFGLARLMV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YTVVGNPYWMAPE
Binding pocket
EVLGKGCFGQAIKMVMKELTFLKEVKVMRCLEPNVLKFIGVNFITEYIKGGTLRGIIKSYLHSMNIIHRDLNSHNCLVVADFGLA
Ligand info
Orthosteric ligand
STU
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3S95, Chain A