3FME Chain A
Dual specificity mitogen-activated protein kinase kinase 6 (MAP2K6)
Inactive — 0.5%DFG-outαC-outType1 · STU
Resolution
2.26 Å
R-value
0.213
Predicted activity confidence0.5%
Structure info
Alternate conformation—
Missing atoms52
Missing residues3
Salt bridge (KinCore)Saltbr-na
Sequence info
PDB sequence
MEVKADDLEPIMELGRGAYGVVEKMRHVPSGQIMAVKRIRNSQEQKRLLMDLDISMRTVDCPFTVTFYGALFREGDVWICMELMDTSLDKFYKQVIDKGQTIPEDILGKIAVSIVKALEHLHSKLSVIHRDVKPSNVLINALGQVKMCDFAGCKPYMAPERINPELNQYSVKSDIWSLGITMIELAILRFPYDSWGTPFQQLKQVVEEPSPQLPADKFSAEFVDFTSQCLKKNSKERPTYPELMQHPFFTLHESKGTDVASFVKLILG
UniProt reference sequence
LEPIMELGRGAYGVVEKMRHVPSGQIMAVKRIRATVNSQEQKRLLMDLDISMRTVDCPFTVTFYGALFREGDVWICMELMDTSLDKFYKQVIDKGQTIPEDILGKIAVSIVKALEHLHSKLSVIHRDVKPSNVLINALGQVKMCDFGISGYLVDSVAKTIDAGCKPYMAPERINPELNQKGYSVKSDIWSLGITMIELAILRFPYDSWGTPFQQLKQVVEEPSPQLPADKFSAEFVDFTSQCLKKNSKERPTYPELMQHPFF
Aligned reference sequence
LEPI----------------MELGRGA----------------YGVVEKMRH--VP------------------------------------SGQIMAVKRIR--ATVNSQE---------------------------QKRLLMDLDISMRT--V-----------------------DCPFTVTFYGALFREG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVWICMELMD---------------TSLDKFYKQ--VIDKGQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TIPEDILGKIAVSIVKALEHLHSK--L------------------------------------------SVIHRDV-----KPSNVLINA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGQVKMCDFGISGYLVDSVAK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TIDAGCKPYMAPERINP--ELNQ--------------------------KGYS-VKSDIWSLGITMIELAIL-----------------RFPYDS--W-----------------------------------------------GTPFQQLKQVVEE--PSPQLPADKFS----------------------------------------------------------------------------------------------------AEFVDFTSQCLKKNSKERPT--------------YPELMQHPFF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LEPI----------------MELGRGA----------------YGVVEKMRH--VP------------------------------------SGQIMAVKRIR-----NSQE---------------------------QKRLLMDLDISMRT--V-----------------------DCPFTVTFYGALFREG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVWICMELMD---------------TSLDKFYKQ--VIDKGQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TIPEDILGKIAVSIVKALEHLHSK--L------------------------------------------SVIHRDV-----KPSNVLINA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGQVKMCDF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGCKPYMAPERINP--ELNQ----------------------------YS-VKSDIWSLGITMIELAIL-----------------RFPYDS--W-----------------------------------------------GTPFQQLKQVVEE--PSPQLPADKFS----------------------------------------------------------------------------------------------------AEFVDFTSQCLKKNSKERPT--------------YPELMQHPFF
Activation segment
DF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGCKPYMAPE
Binding pocket
MELGRGAYGVVEKMAVKRIRLLMDLDISMRTVPFTVTFYGAWICMELMD_TSLDKFYKQLHSKLSVIHRDVKPSNVLIMCDF___
Ligand info
Orthosteric ligand
STU
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 3FME, Chain A