8P7J Chain A
Dual specificity mitogen-activated protein kinase kinase 6 (MAP2K6)
Inactive — 0.2%DFG-outαC-inType1 · X3K
Resolution
2.4 Å
R-value
0.199
Predicted activity confidence0.2%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-na
Sequence info
PDB sequence
SMEVKADDLEPIMELGRGAYGVVEKMRHVPSGQIMAVKRIRATVNSQEQKRLLMDLDISMRTVDCPFTVTFYGALFREGDVWICMELMDTSLDKFYKQVIDKGQTIPEDILGKIAVSIVKALEHLHSKLSVIHRDVKPSNVLINALGQVKMCDFGISGYLKPYMAPERINPELNQKGYSVKSDIWSLGITMIELAILRFPYDSWGTPFQQLKQVVEEPSPQLPADKFSAEFVDFTSQCLKKNSKERPTYPELMQHPFFTLHESKGTDVASFVKLILG
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--ATVNSQE---------------------------QKRLLMDLDISMRT--V-----------------------DCPFTVTFYGALFREG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVWICMELMD---------------TSLDKFYKQ--VIDKGQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TIPEDILGKIAVSIVKALEHLHSK--L------------------------------------------SVIHRDV-----KPSNVLINA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGQVKMCDFGISGYL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KPYMAPERINP--ELNQ--------------------------KGYS-VKSDIWSLGITMIELAIL-----------------RFPYDS--W-----------------------------------------------GTPFQQLKQVVEE--PSPQLPADKFS----------------------------------------------------------------------------------------------------AEFVDFTSQCLKKNSKERPT--------------YPELMQHPFF
Activation segment
DFGISGYL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KPYMAPE
Binding pocket
MELGRGAYGVVEKMAVKRIRLLMDLDISMRTVPFTVTFYGAWICMELMD_TSLDKFYKQLHSKLSVIHRDVKPSNVLIMCDFGIS
Ligand info
Orthosteric ligand
X3K
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationout
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 8P7J, Chain A