2XYN Chain B
Tyrosine-protein kinase ABL2 (ABL2)
Active — 99.7%DFG-inαC-inType1,Allosteric,Allosteric · VX6
Resolution
2.81 Å
R-value
0.248
Predicted activity confidence99.7%
Structure info
Alternate conformationB
Missing atoms44
Missing residues0
Salt bridge (KinCore)Saltbr-none
Sequence info
PDB sequence
KWEMERTDITMKHKLGGGQYGEVYVGVWKKYSLTVAVKTLDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTLEPPFYIVTEYMPYGNLLDYLRECNREEVTAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHVVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNTFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYDLLEKGYRMEQPEGCPPKVYELMRACWKWSPADRPSFAETHQAFETMFHD
UniProt reference sequence
ITMKHKLGGGQYGEVYVGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTLEPPFYIVTEYMPYGNLLDYLRECNREEVTAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHVVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNTFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYDLLEKGYRMEQPEGCPPKVYELMRACWKWSPADRPSFAETHQAFET
Aligned reference sequence
ITMK----------------HKLGGGQ----------------YGEVYVGVW--KK------------------------------------YSLTVAVKTLK--EDTME-----------------------------VEEFLKEAAVMKEI--------------------------KHPNLVQLLGVCTLEP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PFYIVTEYMPY--------------GNLLDYLRE--CNRE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVTAVVLLYMATQISSAMEYLEKK---------------------------------------------NFIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHVVKVADFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPESLAY--------------------------------NTFS-IKSDVWAFGVLLWEIATY--G--------------MSPYPG--------------------------------------------------IDLSQVYDLLEKG--YRMEQPEGCP-----------------------------------------------------------------------------------------------------PKVYELMRACWKWSPADRPS--------------FAETHQAFET
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
ITMK----------------HKLGGGQ----------------YGEVYVGVW--KK------------------------------------YSLTVAVKTL----DTME-----------------------------VEEFLKEAAVMKEI--------------------------KHPNLVQLLGVCTLEP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PFYIVTEYMPY--------------GNLLDYLRE--CNRE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVTAVVLLYMATQISSAMEYLEKK---------------------------------------------NFIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHVVKVADFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPESLAY--------------------------------NTFS-IKSDVWAFGVLLWEIATY--G--------------MSPYPG--------------------------------------------------IDLSQVYDLLEKG--YRMEQPEGCP-----------------------------------------------------------------------------------------------------PKVYELMRACWKWSPADRPS--------------FAETHQAFET
Activation segment
DFGLSRLMTGDTYT--AH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGAKFPIKWTAPE
Binding pocket
HKLGGGQYGEVYVVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIVTEYMPYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Ligand info
Orthosteric ligand
VX6
Allosteric ligand
VX6
Ligand typeType1,Allosteric,Allosteric
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 2XYN, Chain B