1S9I Chain B
Dual specificity mitogen-activated protein kinase kinase 2 (MAP2K2)
Inactive — 0.0%DFG-inαC-outATPlike,Type3 · ATP
Resolution
3.2 Å
R-value
0.294
Predicted activity confidence0.0%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
TQKAKVGELKDDDFERISELGAGNGGVVTKVQHRPSGLIMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKEAKRIPEEILGKVSIAVLRGLAYLREKHQIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMTRSYMAPERLQGTHYSVQSDIWSMGLSLVELAVGRYPIPPPDAKELEAIFGRMAIFELLDYIVNEPPPKLPNGVFTPDFQEFVNKCLIKNPAERADLKMLTNHTFIKRSEVEEVDFAGWLCKTLRL
UniProt reference sequence
FERISELGAGNGGVVTKVQHRPSGLIMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKEAKRIPEEILGKVSIAVLRGLAYLREKHQIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMAPERLQGTHYSVQSDIWSMGLSLVELAVGRYPIPPPDAKELEAIFGRPVVDGEEGEPHSISPRPRPPGRPVSGHGMDSRPAMAIFELLDYIVNEPPPKLPNGVFTPDFQEFVNKCLIKNPAERADLKMLTNHTFI
Aligned reference sequence
FERI----------------SELGAGN----------------GGVVTKVQH--RP------------------------------------SGLIMARKLIH--LEIKPAI---------------------------RNQIIRELQVLHEC--------------------------NSPYIVGFYGAFYSDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EISICMEHMDG--------------GSLDQVLKE--AK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIPEEILGKVSIAVLRGLAYLREK--H------------------------------------------QIMHRDV-----KPSNILVNS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGEIKLCDFGVSGQLIDSMA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSFVGTRSYMAPERLQG--------------------------------THYS-VQSDIWSMGLSLVELAVG-----------------RYPIPP--PDAKELEAIFGRPVVDGEEGEPHSISPRPRPPGRPVSGHGMDSRPA--MAIFELLDYIVNE--PPPKLPNGVFT----------------------------------------------------------------------------------------------------PDFQEFVNKCLIKNPAERAD--------------LKMLTNHTFI
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
FERI----------------SELGAGN----------------GGVVTKVQH--RP------------------------------------SGLIMARKLIH--LEIKPAI---------------------------RNQIIRELQVLHEC--------------------------NSPYIVGFYGAFYSDG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EISICMEHMDG--------------GSLDQVLKE--AK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIPEEILGKVSIAVLRGLAYLREK--H------------------------------------------QIMHRDV-----KPSNILVNS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGEIKLCDFGVSGQLIDSM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRSYMAPERLQG--------------------------------THYS-VQSDIWSMGLSLVELAVG-----------------RYPIPP--PDAKELEAIFGR------------------------------------MAIFELLDYIVNE--PPPKLPNGVFT----------------------------------------------------------------------------------------------------PDFQEFVNKCLIKNPAERAD--------------LKMLTNHTFI
Activation segment
DFGVSGQLIDSM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRSYMAPE
Binding pocket
SELGAGNGGVVTKMARKLIQIIRELQVLHECNPYIVGFYGASICMEHMDGGSLDQVLKELREKHQIMHRDVKPSNILVLCDFGVS
Ligand info
Orthosteric ligand
ATP
Allosteric ligand
None
Ligand typeATPlike,Type3
Consensus conformation
DFG conformationin
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 1S9I, Chain B