4Y85 Chain A
Mitogen-activated protein kinase kinase kinase 8 (MAP3K8)
Active — 99.9%DFG-inαC-inType1 · 499
Resolution
2.33 Å
R-value
0.179
Predicted activity confidence99.9%
Structure info
Alternate conformation—
Missing atoms13
Missing residues1
Salt bridge (KinCore)Saltbr-na
Sequence info
PDB sequence
LSSVRYGTVEDLLAFANHISNTPQESGILLNMVITPQNGRYQIDSDVLLIPWKLTYRNIFIPRGAFGKVYLAQDIKTKKRMACKLIPVDQFKPSDVEIQACFRHENIAELYGAVLWGETVHLFMEAGEGGSVLEKLESCGPMREFEIIWVTKHVLKGLDFLHSKKVIHHDIKPSNIVFMSTKAVLVDFGLSVQMTEDVYFPKDLRGTEIYMSPEVILCRGHSTKADIYSLGATLIHMQTGTPPWVKRYPRSAYPSYLYIIHKQAPPLEDIADDCSPGMRELIEASLERNPNHRPRAADLLKHEALNP
UniProt reference sequence
VLLIPWKLTYRNIGSDFIPRGAFGKVYLAQDIKTKKRMACKLIPVDQFKPSDVEIQACFRHENIAELYGAVLWGETVHLFMEAGEGGSVLEKLESCGPMREFEIIWVTKHVLKGLDFLHSKKVIHHDIKPSNIVFMSTKAVLVDFGLSVQMTEDVYFPKDLRGTEIYMSPEVILCRGHSTKADIYSLGATLIHMQTGTPPWVKRYPRSAYPSYLYIIHKQAPPLEDIADDCSPGMRELIEASLERNPNHRPRAADLLKHEAL
Aligned reference sequence
VLLI--PWKLTYRNIGS------------DFIPRGA-------FGKVYLAQD--IK------------------------------------TKKRMACKLIP--V---------------------------------DQFKPSDVEIQACF--------------------------RHENIAELYGAVLWGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TVHLFMEAGEG--------------GSVLEKLES--CG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PMREFEIIWVTKHVLKGLDFLHSK---------------------------------------------KVIHHDI-----KPSNIVFM---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------STKAVLVDFGLSVQMTEDVYF--P---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDLRGTEIYMSPEVILC--------------------------------RGHS-TKADIYSLGATLIHMQTG-----------------TPPWVK--RYPR--------------------------------------------SAYPSYLYIIHKQ--APPLEDIADDCS---------------------------------------------------------------------------------------------------PGMRELIEASLERNPNHRPR--------------AADLLKHEAL
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
VLLI--PWKLTYRNI---------------FIPRGA-------FGKVYLAQD--IK------------------------------------TKKRMACKLIP--V---------------------------------DQFKPSDVEIQACF--------------------------RHENIAELYGAVLWGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TVHLFMEAGEG--------------GSVLEKLES--CG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PMREFEIIWVTKHVLKGLDFLHSK---------------------------------------------KVIHHDI-----KPSNIVFM---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------STKAVLVDFGLSVQMTEDVYF--P---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDLRGTEIYMSPEVILC--------------------------------RGHS-TKADIYSLGATLIHMQTG-----------------TPPWVK--RYPR--------------------------------------------SAYPSYLYIIHKQ--APPLEDIADDCS---------------------------------------------------------------------------------------------------PGMRELIEASLERNPNHRPR--------------AADLLKHEAL
Activation segment
DFGLSVQMTEDVYF--P---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDLRGTEIYMSPE
Binding pocket
_FIPRGAFGKVYLMACKLIFKPSDVEIQACFRENIAELYGAHLFMEAGEGGSVLEKLESFLHSKKVIHHDIKPSNIVFLVDFGLS
Ligand info
Orthosteric ligand
499
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 4Y85, Chain A