3V8W Chain A
Tyrosine-protein kinase ITK/TSK (ITK)
Inactive — 0.1%DFG-inαC-inType1 · 0G2
Resolution
2.27 Å
R-value
0.252
Predicted activity confidence0.1%
Structure info
Alternate conformation—
Missing atoms17
Missing residues4
Salt bridge (KinCore)Saltbr-none
Sequence info
PDB sequence
GSVIDPSELTFVQEIGSGGLVHLGYWLNKDKVAIKTIRGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYERSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG
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----------------QEIGSG------------------GLVHLGYW--L-------------------------------------NKDKVAIKTIR---GAMS-----------------------------EEDFIEEAEVMMKL--------------------------SHPKLVQLYGVCLEQA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PICLVFEFMEH--------------GCLSDYLRT--QRG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFAAETLLGMCLDVCEGMAYLEEA---------------------------------------------CVIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NQVIKVSDFG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PVKWASPEVFSF--------------------------------SRYS-SKSDVWSFGVLMWEVFSE--G--------------KIPYE---------------------------------------------------RSNSEVVEDISTG--FRLYKPRLAS-----------------------------------------------------------------------------------------------------THVYQIMNHCWKERPEDRPA--------------FSRLLRQLAE
Activation segment
DFG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PVKWASPE
Binding pocket
QEIGSG__GLVHLVAIKTIDFIEEAEVMMKLSPKLVQLYGVCLVFEFMEHGCLSDYLRTYLEEACVIHRDLAARNCLVVSDFG__
Ligand info
Orthosteric ligand
0G2
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3V8W, Chain A