5ZZ4 Chain D
Tyrosine-protein kinase BTK (BTK)
Inactive — 0.1%DFG-inαC-outType1 · 9M3
Resolution
2.9 Å
R-value
0.227
Predicted activity confidence0.1%
Structure info
Alternate conformation—
Missing atoms7
Missing residues0
Salt bridge (KinCore)Saltbr-none
Sequence info
PDB sequence
GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVM
UniProt reference sequence
LTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILD
Aligned reference sequence
LTFL----------------KELGTGQ----------------FGVVKYGKW--R-------------------------------------GQYDVAIKMIK--EGSMS-----------------------------EDEFIEEAKVMMNL--------------------------SHEKLVQLYGVCTKQR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PIFIITEYMAN--------------GCLLNYLRE--MRH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RFQTQQLLEMCKDVCEAMEYLESK---------------------------------------------QFLHRDL-----AARNCLVND--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QGVVKVSDFGLSRYVLDDEYT--SS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VGSKFPVRWSPPEVLMY--------------------------------SKFS-SKSDIWAFGVLMWEIYSL--G--------------KMPYER--------------------------------------------------FTNSETAEHIAQG--LRLYRPHLAS-----------------------------------------------------------------------------------------------------EKVYTIMYSCWHEKADERPT--------------FKILLSNILD
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LTFL----------------KELGTGQ----------------FGVVKYGKW--R-------------------------------------GQYDVAIKMIK--EGSMS-----------------------------EDEFIEEAKVMMNL--------------------------SHEKLVQLYGVCTKQR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PIFIITEYMAN--------------GCLLNYLRE--MRH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RFQTQQLLEMCKDVCEAMEYLESK---------------------------------------------QFLHRDL-----AARNCLVND--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QGVVKVSDFGLSRYVLDDEYT--SS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VGSKFPVRWSPPEVLMY--------------------------------SKFS-SKSDIWAFGVLMWEIYSL--G--------------KMPYER--------------------------------------------------FTNSETAEHIAQG--LRLYRPHLAS-----------------------------------------------------------------------------------------------------EKVYTIMYSCWHEKADERPT--------------FKILLSNILD
Activation segment
DFGLSRYVLDDEYT--SS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VGSKFPVRWSPPE
Binding pocket
KELGTGQFGVVKYVAIKMIEFIEEAKVMMNLSEKLVQLYGVFIITEYMANGCLLNYLREYLESKQFLHRDLAARNCLVVSDFGLS
Ligand info
Orthosteric ligand
9M3
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 5ZZ4, Chain D