7F2X Chain A
Dual specificity mitogen-activated protein kinase kinase 1 (MAP2K1)
Active — 97.5%DFG-outαC-outATPlike · ANP
Resolution
2.007 Å
R-value
0.216
Predicted activity confidence97.5%
Structure info
Alternate conformation—
Missing atoms4
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
MTLQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHESNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIGSGSGSMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLN
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--LEIKPAI---------------------------RNQIIRELQVLHES--------------------------NSPYIVGFYGAFYSDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EISICMEHMDG--------------GSLDQVLKK--AG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIPEQILGKVSIAVIKGLTYLREK--H------------------------------------------KIMHRDV-----KPSNILVNS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGEIKLCDFGVSGQLIDSMA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSFVGTRSYMSPERLQG--------------------------------THYS-VQSDIWSMGLSLVEMAVG-----------------RYPI-------------------------------------------GSGS-GS--MAIFELLDYIVNE--PPPKLPSGVFS----------------------------------------------------------------------------------------------------LEFQDFVNKCLIKNPAERAD--------------LKQLMVHAFI
Activation segment
DFGVSGQLIDSMA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSFVGTRSYMSPE
Binding pocket
SELGAGNGGVVFKMARKLIQIIRELQVLHESNPYIVGFYGASICMEHMDGGSLDQVLKKLREKHKIMHRDVKPSNILVLCDFGVS
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 7F2X, Chain A