3MJ2 Chain A
Tyrosine-protein kinase ITK/TSK (ITK)
Inactive — 0.0%DFG-inαC-outType1 · MJG
Resolution
1.9 Å
R-value
0.208
Predicted activity confidence0.0%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
VIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEASVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAAI
UniProt reference sequence
LTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAE
Aligned reference sequence
LTFV----------------QEIGSGQ----------------FGLVHLGYW--L-------------------------------------NKDKVAIKTIR--EGAMS-----------------------------EEDFIEEAEVMMKL--------------------------SHPKLVQLYGVCLEQA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PICLVFEFMEH--------------GCLSDYLRT--QRG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFAAETLLGMCLDVCEGMAYLEEA---------------------------------------------CVIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NQVIKVSDFGMTRFVLDDQYT--SS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGTKFPVKWASPEVFSF--------------------------------SRYS-SKSDVWSFGVLMWEVFSE--G--------------KIPYEN--------------------------------------------------RSNSEVVEDISTG--FRLYKPRLAS-----------------------------------------------------------------------------------------------------THVYQIMNHCWKERPEDRPA--------------FSRLLRQLAE
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LTFV----------------QEIGSGQ----------------FGLVHLGYW--L-------------------------------------NKDKVAIKTIR--EGAMS-----------------------------EEDFIEEAEVMMKL--------------------------SHPKLVQLYGVCLEQA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PICLVFEFMEH--------------GCLSDYLRT--QRG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFAAETLLGMCLDVCEGMAYLEEA---------------------------------------------SVIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NQVIKVSDFGMTRFVLDDQYT--SS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGTKFPVKWASPEVFSF--------------------------------SRYS-SKSDVWSFGVLMWEVFSE--G--------------KIPYEN--------------------------------------------------RSNSEVVEDISTG--FRLYKPRLAS-----------------------------------------------------------------------------------------------------THVYQIMNHCWKERPEDRPA--------------FSRLLRQLAA
Activation segment
DFGMTRFVLDDQYT--SS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGTKFPVKWASPE
Binding pocket
QEIGSGQFGLVHLVAIKTIDFIEEAEVMMKLSPKLVQLYGVCLVFEFMEHGCLSDYLRTYLEEASVIHRDLAARNCLVVSDFGMT
Ligand info
Orthosteric ligand
MJG
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 3MJ2, Chain A