4BID Chain B
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)
Inactive — 17.1%DFG-inαC-inType1 · IE8
Resolution
2.8 Å
R-value
0.196
Predicted activity confidence17.1%
Structure info
Alternate conformationB
Missing atoms20
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
LLEYDYEYDENGDRVVLGKGTYGIVYAGRDLSNQVRIAIKEIPERSQPLHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLFTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKV
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--ER--------------------------------SQPLHEEIALHKHL--------------------------KHKNIVQYLGSFSENG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FIKIFMEQVPG--------------GSLSALLRS--KWGPL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDNEQTIGFYTKQILEGLKYLHDN---------------------------------------------QIVHRDI-----KGDNVLINT--Y-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVLKISDFGTSKRL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FTGTLQYMAPEIIDK--GP----------------------------RGYG-KAADIWSLGCTIIEMATG-----------------KPPFYE--L-----------------------------------------------GEPQAAMFKVGMF--KVHPEIPESMS----------------------------------------------------------------------------------------------------AEAKAFILKCFEPDPDKRAC--------------ANDLLVDEFL
Activation segment
DFGTSKRL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FTGTLQYMAPE
Binding pocket
VVLGKGTYGIVYAIAIKEIPLHEEIALHKHLKKNIVQYLGSKIFMEQVPGGSLSALLRSYLHDNQIVHRDIKGDNVLIISDFGTS
Ligand info
Orthosteric ligand
IE8
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4BID, Chain B