4WA9 Chain A
Tyrosine-protein kinase ABL1 (ABL1)
Inactive — 2.2%DFG-outαC-outType1 · AXI
Resolution
2.2 Å
R-value
0.175
Predicted activity confidence2.2%
Structure info
Alternate conformation—
Missing atoms4
Missing residues13
Salt bridge (KinCore)Saltbr-none
Sequence info
PDB sequence
EMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKEIKHPNLVQLLGVCTREPIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISD
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------------------------------------YSLTVAV---------------------------------------------------KEI--------------------------KHPNLVQLLGVCTREP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IITEFMTY--------------GNLLDYLRE--CNRQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVNAVVLLYMATQISSAMEYLEKK---------------------------------------------NFIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHLVKVADFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPESLAY--------------------------------NKFS-IKSDVWAFGVLLWEIATY--G--------------MSPYPG--------------------------------------------------IDLSQVYELLEKD--YRMERPEGCP-----------------------------------------------------------------------------------------------------EKVYELMRACWQWNPSDRPS--------------FAEIHQAFET
Activation segment
DFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPE
Binding pocket
HKLGGGQYGEVYEVAVK____________EIKPNLVQLLGV_IITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Ligand info
Orthosteric ligand
AXI
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4WA9, Chain A