Ligand: QWS

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 4M15A

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
TYR ITK ITK_HUMAN 4M14A 1.55 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao QWS, QWS Type1, Type3 355 - 617 0 None None Tyrosine-protein kinase ITK/TSK
TYR ITK ITK_HUMAN 4M15A 1.52 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao QWS, ADP Type3, ATPlike 355 - 617 0 None None Tyrosine-protein kinase ITK/TSK

Ligand: QWS

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 4M15A

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
TYR ITK ITK_HUMAN 4M14A 1.55 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao QWS, QWS Type1, Type3 355 - 617 0 None None Tyrosine-protein kinase ITK/TSK Homo sapiens
TYR ITK ITK_HUMAN 4M15A 1.52 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_oiiai APEdist_aaao QWS, ADP Type3, ATPlike 355 - 617 0 None None Tyrosine-protein kinase ITK/TSK Homo sapiens

Ligand: QWS

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism