3UE4 Chain A
Tyrosine-protein kinase ABL1 (ABL1)
Inactive — 0.2%DFG-outαC-inType1 · DB8
Resolution
2.42 Å
R-value
0.192
Predicted activity confidence0.2%
Structure info
Alternate conformation—
Missing atoms11
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSI
UniProt reference sequence
ITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFET
Aligned reference sequence
ITMK----------------HKLGGGQ----------------YGEVYEGVW--KK------------------------------------YSLTVAVKTLK--EDTME-----------------------------VEEFLKEAAVMKEI--------------------------KHPNLVQLLGVCTREP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PFYIITEFMTY--------------GNLLDYLRE--CNRQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVNAVVLLYMATQISSAMEYLEKK---------------------------------------------NFIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHLVKVADFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPESLAY--------------------------------NKFS-IKSDVWAFGVLLWEIATY--G--------------MSPYPG--------------------------------------------------IDLSQVYELLEKD--YRMERPEGCP-----------------------------------------------------------------------------------------------------EKVYELMRACWQWNPSDRPS--------------FAEIHQAFET
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
ITMK----------------HKLGGGQ----------------YGEVYEGVW--KK------------------------------------YSLTVAVKTLK--EDTME-----------------------------VEEFLKEAAVMKEI--------------------------KHPNLVQLLGVCTREP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PFYIITEFMTY--------------GNLLDYLRE--CNRQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVNAVVLLYMATQISSAMEYLEKK---------------------------------------------NFIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHLVKVADFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPESLAY--------------------------------NKFS-IKSDVWAFGVLLWEIATY--G--------------MSPYPG--------------------------------------------------IDLSQVYELLEKD--YRMERPEGCP-----------------------------------------------------------------------------------------------------EKVYELMRACWQWNPSDRPS--------------FAEIHQAFET
Activation segment
DFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPE
Binding pocket
HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Ligand info
Orthosteric ligand
DB8
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationout
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3UE4, Chain A