6E2M Chain A
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)
Active — 79.2%DFG-inαC-inType1 · KK7
Resolution
2.25 Å
R-value
0.218
Predicted activity confidence79.2%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
LLEYDYEYDENGDRVVLGKGTYGIVYAGRDLSNQVRIAIKEIPYSQPLHEEIALHKHLKHKNIVQYLGSFSENFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLAPCTEFTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLK
UniProt reference sequence
YDYEYDENGDRVVLGKGTYGIVYAGRDLSNQVRIAIKEIPERDSRYSQPLHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLAGINPCTETFTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFL
Aligned reference sequence
YDYE--YDENGDR-------VVLGKGT----------------YGIVYAGRD--LS------------------------------------NQVRIAIKEIP--ERDSRY----------------------------SQPLHEEIALHKHL--------------------------KHKNIVQYLGSFSENG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FIKIFMEQVPG--------------GSLSALLRS--KWGPL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDNEQTIGFYTKQILEGLKYLHDN---------------------------------------------QIVHRDI-----KGDNVLINT--Y-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVLKISDFGTSKRLAGINPC--T---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ETFTGTLQYMAPEIIDK--GP----------------------------RGYG-KAADIWSLGCTIIEMATG-----------------KPPFYE--L-----------------------------------------------GEPQAAMFKVGMF--KVHPEIPESMS----------------------------------------------------------------------------------------------------AEAKAFILKCFEPDPDKRAC--------------ANDLLVDEFL
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YDYE--YDENGDR-------VVLGKGT----------------YGIVYAGRD--LS------------------------------------NQVRIAIKEIP-------Y----------------------------SQPLHEEIALHKHL--------------------------KHKNIVQYLGSFSEN---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FIKIFMEQVPG--------------GSLSALLRS--KWGPL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDNEQTIGFYTKQILEGLKYLHDN---------------------------------------------QIVHRDI-----KGDNVLINT--Y-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVLKISDFGTSKRLA---PC--T---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------E-FTGTLQYMAPEIIDK--GP----------------------------RGYG-KAADIWSLGCTIIEMATG-----------------KPPFYE--L-----------------------------------------------GEPQAAMFKVGMF--KVHPEIPESMS----------------------------------------------------------------------------------------------------AEAKAFILKCFEPDPDKRAC--------------ANDLLVDEFL
Activation segment
DFGTSKRLA---PC--T---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------E-FTGTLQYMAPE
Binding pocket
VVLGKGTYGIVYAIAIKEIPLHEEIALHKHLKKNIVQYLGSKIFMEQVPGGSLSALLRSYLHDNQIVHRDIKGDNVLIISDFGTS
Ligand info
Orthosteric ligand
KK7
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 6E2M, Chain A