5YT3 Chain D
Dual specificity mitogen-activated protein kinase kinase 1 (MAP2K1)
Active — 56.8%DFG-outαC-outATPlike · ANP
Resolution
2.9 Å
R-value
0.213
Predicted activity confidence56.8%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
ELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDDMANDFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLN
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----------------SELGAGN----------------GGVVFKVSH--KP------------------------------------SGLVMARKLIH--L--KPAI---------------------------RNQIIRELQVLHEC--------------------------NSPYIVGFYGAFYSDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EISICMEHMDG--------------GSLDQVLKK--AG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIPEQILGKVSIAVIKGLTYLREK--H------------------------------------------KIMHRDV-----KPSNILVNS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGEIKLCDFGVSGQLIDDMA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDFVGTRSYMSPERLQG--------------------------------THYS-VQSDIWSMGLSLVEMAVG-----------------RYPIPP--PDAKELELMF---------------------------------------AIFELLDYIVNE--PPPKLPSGVFS----------------------------------------------------------------------------------------------------LEFQDFVNKCLIKNPAERAD--------------LKQLMVHAFI
Activation segment
DFGVSGQLIDDMA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDFVGTRSYMSPE
Binding pocket
SELGAGNGGVVFKMARKLIQIIRELQVLHECNPYIVGFYGASICMEHMDGGSLDQVLKKLREKHKIMHRDVKPSNILVLCDFGVS
Ligand info
Orthosteric ligand
ANP
Allosteric ligand
None
Ligand typeATPlike
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 5YT3, Chain D