5EYM Chain A
Dual specificity mitogen-activated protein kinase kinase 1 (MAP2K1)
Inactive — 0.1%DFG-inαC-outType1 · 5U5
Resolution
2.7 Å
R-value
0.247
Predicted activity confidence0.1%
Structure info
Alternate conformationA
Missing atoms0
Missing residues6
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
ELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMTRSYMSPERLVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGL
UniProt reference sequence
FEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFI
Aligned reference sequence
FEKI----------------SELGAGN----------------GGVVFKVSH--KP------------------------------------SGLVMARKLIH--LEIKPAI---------------------------RNQIIRELQVLHEC--------------------------NSPYIVGFYGAFYSDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EISICMEHMDG--------------GSLDQVLKK--AG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIPEQILGKVSIAVIKGLTYLREK--H------------------------------------------KIMHRDV-----KPSNILVNS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGEIKLCDFGVSGQLIDSMA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSFVGTRSYMSPERLQG--------------------------------THYS-VQSDIWSMGLSLVEMAVG-----------------RYPIPP--PDAKELELMFGCQV----EGDAAETPPRPRTPGRPLSSYGMDSRPP--MAIFELLDYIVNE--PPPKLPSGVFS----------------------------------------------------------------------------------------------------LEFQDFVNKCLIKNPAERAD--------------LKQLMVHAFI
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
FEKI----------------SELGA-------------------GVVFKVSH--KP------------------------------------SGLVMARKLIH--LEIKPAI---------------------------RNQIIRELQVLHEC--------------------------NSPYIVGFYGAFYSDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EISICMEHMDG--------------GSLDQVLKK--AG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIPEQILGKVSIAVIKGLTYLRE-----------------------------------------------IMHRDV-----KPSNILVNS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGEIKLCDFGVSGQLIDSM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRSYMSPERL---------------------------------------VQSDIWSMGLSLVEMAVG-----------------RYPIPP--PDAKELELMF-----------------------------------P--MAIFELLDYIVNE--PPPKLPSGVFS----------------------------------------------------------------------------------------------------LEFQDFVNKCLIKNPAERAD--------------LKQLMVHAFI
Activation segment
DFGVSGQLIDSM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRSYMSPE
Binding pocket
SELGA___GVVFKMARKLIQIIRELQVLHECNPYIVGFYGASICMEHMDGGSLDQVLKKLRE___IMHRDVKPSNILVLCDFGVS
Ligand info
Orthosteric ligand
5U5
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 5EYM, Chain A