5MO4 Chain A
Tyrosine-protein kinase ABL1 (ABL1)
Inactive — 0.0%DFG-outαC-inType2,Allosteric · NIL
Resolution
2.17 Å
R-value
0.184
Predicted activity confidence0.0%
Structure info
Alternate conformationA
Missing atoms8
Missing residues3
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
NLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIIIEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRNLAARNCLVGENHLVKVADFFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGK
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--ED--E-----------------------------VEEFLKEAAVMKEI--------------------------KHPNLVQLLGVCTREP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PFYIIIEFMTY--------------GNLLDYLRE--CNRQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVNAVVLLYMATQISSAMEYLEKK---------------------------------------------NFIHRNL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHLVKVADF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FPIKWTAPESLAY--------------------------------NKFS-IKSDVWAFGVLLWEIATY--G--------------MSPYPG--------------------------------------------------IDLSQVYELLEKD--YRMERPEGCP-----------------------------------------------------------------------------------------------------EKVYELMRACWQWNPSDRPS--------------FAEIHQAFET
Activation segment
DF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FPIKWTAPE
Binding pocket
HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIIIEFMTYGNLLDYLREYLEKKNFIHRNLAARNCLVVADF___
Ligand info
Orthosteric ligand
NIL
Allosteric ligand
AY7
Ligand typeType2,Allosteric
Consensus conformation
DFG conformationout
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 5MO4, Chain A