5TWL Chain A
Maternal embryonic leucine zipper kinase (MELK)
Inactive — 27.7%DFG-inαC-inType1.5_Back · H91
Resolution
2.42 Å
R-value
0.198
Predicted activity confidence27.7%
Structure info
Alternate conformation—
Missing atoms12
Missing residues1
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
GSKDYDELLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTLGSDLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCGSLAYAAPELIQGKSYLGSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYPVEWQSKNPFIHLDDDCVTELSVHHRNNRQTMEDLISLWQYDHLTATYLLLLAKKARGKPVRLR
UniProt reference sequence
YELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTLGSDLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCAKPKGNKDYHLQTCCGSLAYAAPELIQGKSYLGSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWI
Aligned reference sequence
YELH----------------ETIGTGG----------------FAKVKLACH--IL------------------------------------TGEMVAIKIMD--KNTLGSD---------------------------LPRIKTEIEALKNL--------------------------RHQHICQLYHVLETAN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIFMVLEYCPG--------------GELFDYIIS--QD-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLSEEETRVVFRQIVSAVAYVHSQ---------------------------------------------GYAHRDL-----KPENLLFDE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YHKLKLIDFGLCAKPKGNKDY--HL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QTCCGSLAYAAPELIQG--------------------------------KSYLGSEADVWSMGILLYVLMCG-----------------FLPFDD--------------------------------------------------DNVMALYKKIMRG--KYDVPKWLS------------------------------------------------------------------------------------------------------PSSILLLQQMLQVDPKKRIS--------------MKNLLNHPWI
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YELH----------------ETIGTGG----------------FAKVKLACH--IL------------------------------------TGEMVAIKIMD--KNTLGSD---------------------------LPRIKTEIEALKNL--------------------------RHQHICQLYHVLETAN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIFMVLEYCPG--------------GELFDYIIS--QD-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLSEEETRVVFRQIVSAVAYVHSQ---------------------------------------------GYAHRDL-----KPENLLFDE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YHKLKLIDFGL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CGSLAYAAPELIQG--------------------------------KSYLGSEADVWSMGILLYVLMCG-----------------FLPFDD--------------------------------------------------DNVMALYKKIMRG--KYDVPKWLS------------------------------------------------------------------------------------------------------PSSILLLQQMLQVDPKKRIS--------------MKNLLNHPWI
Activation segment
DFGL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CGSLAYAAPE
Binding pocket
ETIGTGGFAKVKLVAIKIMRIKTEIEALKNLRQHICQLYHVFMVLEYCPGGELFDYIISYVHSQGYAHRDLKPENLLFLIDFGL_
Ligand info
Orthosteric ligand
H91
Allosteric ligand
None
Ligand typeType1.5_Back
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 5TWL, Chain A