Ligand: SU6 (Orantinib)

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5YVCA

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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
CAMK CAMKK2 KKCC2_HUMAN 5YVCA 2.02 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SU6 Type1 160 - 448 0 None None Calcium/calmodulin-dependent protein kinase kinase 2

Ligand: SU6 (Orantinib)

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5YVCA
DFGin BLAplus 1 50.0% 4JLCA

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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
CAMK CAMKK2 KKCC2_HUMAN 5YVCA 2.02 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SU6 Type1 160 - 448 0 None None Calcium/calmodulin-dependent protein kinase kinase 2 Homo sapiens
OTHER TBK1 TBK1_MOUSE 4JLCA 3.0 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaoii APEdist_nnno SU6 Type1 2 - 656 0 None None Serine/threonine-protein kinase TBK1 Mus musculus

Ligand: SU6 (Orantinib)

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

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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
OTHER TBK1 TBK1_MOUSE 4JLCA 3.0 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaoii APEdist_nnno SU6 Type1 2 - 656 0 None None Serine/threonine-protein kinase TBK1 Mus musculus