3PYY Chain B
Tyrosine-protein kinase ABL1 (ABL1)
Inactive — 0.3%DFG-outαC-inType2,Allosteric · STI
Resolution
1.85 Å
R-value
0.189
Predicted activity confidence0.3%
Structure info
Alternate conformationB
Missing atoms3
Missing residues2
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKEL
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------------------------------------YSLTVAVKTL-------------------------------------VEEFLKEAAVMKEI--------------------------KHPNLVQLLGVCTREP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PFYIITEFMTY--------------GNLLDYLRE--CNRQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVNAVVLLYMATQISSAMEYLEKK---------------------------------------------NFIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHLVKVADF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GAKFPIKWTAPESLAY--------------------------------NKFS-IKSDVWAFGVLLWEIATY--G--------------MSPYPG--------------------------------------------------IDLSQVYELLEKD--YRMERPEGCP-----------------------------------------------------------------------------------------------------EKVYELMRACWQWNPSDRPS--------------FAEIHQAFET
Activation segment
DF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GAKFPIKWTAPE
Binding pocket
HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFG__
Ligand info
Orthosteric ligand
STI
Allosteric ligand
3YY
Ligand typeType2,Allosteric
Consensus conformation
DFG conformationout
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3PYY, Chain B