3QGY Chain A
Tyrosine-protein kinase ITK/TSK (ITK)
Inactive — 0.4%DFG-inαC-inType1 · PQC
Resolution
2.1 Å
R-value
0.208
Predicted activity confidence0.4%
Structure info
Alternate conformationA
Missing atoms0
Missing residues2
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
HMVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIKEGSMSEDDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAES
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-------------------------------------NKDKVAIKTIK--EGSMS-----------------------------EDDFIEEAEVMMKL--------------------------SHPKLVQLYGVCLEQA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PICLVFEFMEH--------------GCLSDYLRT--QRG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFAAETLLGMCLDVCEGMAYLEEA---------------------------------------------CVIHRDL-----AARNCLVGE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NQVIKVSDFG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PVKWASPEVFSF--------------------------------SRYS-SKSDVWSFGVLMWEVFSE--G--------------KIPYEN--------------------------------------------------RSNSEVVEDISTG--FRLYKPRLAS-----------------------------------------------------------------------------------------------------THVYQIMNHCWKERPEDRPA--------------FSRLLRQLAE
Activation segment
DFG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PVKWASPE
Binding pocket
QEIGSGQFGLVHLVAIKTIDFIEEAEVMMKLSPKLVQLYGVCLVFEFMEHGCLSDYLRTYLEEACVIHRDLAARNCLVVSDFG__
Ligand info
Orthosteric ligand
PQC
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 3QGY, Chain A