3VUT Chain A
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4)
Inactive — 0.1%DFG-outαC-out
Resolution
3.5 Å
R-value
0.335
Predicted activity confidence0.1%
Structure info
Alternate conformation—
Missing atoms29
Missing residues24
Salt bridge (KinCore)Saltbr-na
Sequence info
PDB sequence
QKQLLMDLDVVMRSSDCPYIVQFCMELMSTSFDKFYKYVYSVLDDVIPEEILGKITLATVKALNHLKENLKIIHRDIKPSNILLDRSGNIKLCDFGISGDVRSDVWSLGITLYELATGRFPYPKWNSVFDQLTQVVKGDPPQLSNSEEREFSPSFINFVNLCLTKDESKRPKYKELLKHPFILMYEERAVEVACYVCKILDQM
UniProt reference sequence
LKDLGEIGRGAYGSVNKMVHKPSGQIMAVKRIRSTVDEKEQKQLLMDLDVVMRSSDCPYIVQFYGALFREGDCWICMELMSTSFDKFYKYVYSVLDDVIPEEILGKITLATVKALNHLKENLKIIHRDIKPSNILLDRSGNIKLCDFGISGQLVDSIAKTRDAGCRPYMAPERIDPSASRQGYDVRSDVWSLGITLYELATGRFPYPKWNSVFDQLTQVVKGDPPQLSNSEEREFSPSFINFVNLCLTKDESKRPKYKELLKHPFI
Aligned reference sequence
LKDL----------------GEIGRGA----------------YGSVNKMVH--KP------------------------------------SGQIMAVKRIR--STVDEKE---------------------------QKQLLMDLDVVMRS--S-----------------------DCPYIVQFYGALFREG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DCWICMELMS---------------TSFDKFYKY--VYSVLDD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VIPEEILGKITLATVKALNHLKEN--L------------------------------------------KIIHRDI-----KPSNILLDR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGNIKLCDFGISGQLVDSIAK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRDAGCRPYMAPERIDP--SASR--------------------------QGYD-VRSDVWSLGITLYELATG-----------------RFPYPK--W-----------------------------------------------NSVFDQLTQVVKG--DPPQLSNSEEREFS-------------------------------------------------------------------------------------------------PSFINFVNLCLTKDESKRPK--------------YKELLKHPFI
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
-------------------------------------------------------------------------------------------------------------------------------------------QKQLLMDLDVVMRS--S-----------------------DCPYIVQF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CMELMS---------------TSFDKFYKY--VYSVLDD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VIPEEILGKITLATVKALNHLKEN--L------------------------------------------KIIHRDI-----KPSNILLDR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGNIKLCDFGISG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------D-VRSDVWSLGITLYELATG-----------------RFPYPK--W-----------------------------------------------NSVFDQLTQVVKG--DPPQLSNSEEREFS-------------------------------------------------------------------------------------------------PSFINFVNLCLTKDESKRPK--------------YKELLKHPFI
Activation segment
DFGISG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Binding pocket
___________________QLLMDLDVVMRSSPYIVQF_____CMELMS_TSFDKFYKYLKENLKIIHRDIKPSNILLLCDFGIS
Ligand info
Orthosteric ligand
None
Allosteric ligand
None
Ligand typeNo_ligand
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3VUT, Chain A