3WE4 Chain A
Ribosomal protein S6 kinase beta-1 (RPS6KB1)
Inactive — 33.2%DFG-inαC-inType1 · 5FI
Resolution
2.0 Å
R-value
0.177
Predicted activity confidence33.2%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
KIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDTHFCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQ
UniProt reference sequence
FELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVTHTFCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFF
Aligned reference sequence
FELL----------------RVLGKGG----------------YGKVFQVRK--VTGAN---------------------------------TGKIFAMKVLK--KAMIVRNAKD------------------------TAHTKAERNILEEV--------------------------KHPFIVDLIYAFQTGG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLYLILEYLSG--------------GELFMQLER--EG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IFMEDTACFYLAEISMALGHLHQK---------------------------------------------GIIYRDL-----KPENIMLNH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QGHVKLTDFGLCKESIHDGTV--T---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HTFCGTIEYMAPEILMR--------------------------------SGHN-RAVDWWSLGALMYDMLTG-----------------APPFTG--------------------------------------------------ENRKKTIDKILKC--KLNLPPYLT------------------------------------------------------------------------------------------------------QEARDLLKKLLKRNAASRLG--AGPGD-------AGEVQAHPFF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
FELL----------------RVLGKGG----------------YGKVFQVRK--VTGAN---------------------------------TGKIFAMKVLK--KAMIVRNAKD------------------------TAHTKAERNILEEV--------------------------KHPFIVDLIYAFQTGG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLYLILEYLSG--------------GELFMQLER--EG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IFMEDTACFYLAEISMALGHLHQK---------------------------------------------GIIYRDL-----KPENIMLNH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QGHVKLTDFGLCKESIHD-----T---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------H-FCGTIEYMAPEILMR--------------------------------SGHN-RAVDWWSLGALMYDMLTG-----------------APPFTG--------------------------------------------------ENRKKTIDKILKC--KLNLPPYLT------------------------------------------------------------------------------------------------------QEARDLLKKLLKRNAASRLG--AGPGD-------AGEVQAHPFF
Activation segment
DFGLCKESIHD-----T---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------H-FCGTIEYMAPE
Binding pocket
RVLGKGGYGKVFQFAMKVLHTKAERNILEEVKPFIVDLIYAYLILEYLSGGELFMQLERHLHQKGIIYRDLKPENIMLLTDFGLC
Ligand info
Orthosteric ligand
5FI
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 3WE4, Chain A