Ligand: BX7

Total number of chains: 10
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 70.0% 4EUUA
DFGin BLBplus 2 20.0% 4IM2A
DFGin None 1 10.0% 4IWPA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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
OTHER TBK1 TBK1_HUMAN 4EUUA 1.8 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 307 0 SEP172 D135N Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUUB 1.8 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 307 0 SEP172 D135N Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUTA 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_oooo BX7 Type1 2 - 385 0 None D135N Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUTB 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_oooo BX7 Type1 2 - 385 0 None D135N Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IW0A 4.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 657 0 SEP172 D135N Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 6O8BA 3.4 Inactive DFGin‑BLAminus out-out in-out nonTYR APEdihe_aaioi APEdist_oiii BX7 Type1 2 - 656 0 None D135N,S172E Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 6O8BB 3.4 Inactive DFGin‑BLAminus in-in out-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 654 0 None D135N,S172E Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IM2A 2.5 Inactive DFGin‑BLBplus out-out none-none nonTYR APEdihe_aanni APEdist_nnnn BX7 Type1 1 - 657 0 None D135N Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IM3A 3.342 Inactive DFGin‑BLBplus out-out none-none nonTYR APEdihe_aannn APEdist_nnnn BX7 Type1 1 - 657 0 None D135N Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IWPA 3.065 Inactive DFGin‑None out-out out-none nonTYR APEdihe_aaiii APEdist_nnni BX7 Type1 2 - 657 0 None S172A Serine/threonine-protein kinase TBK1

Ligand: BX7

Total number of chains: 13
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 53.8% 4EUUA
DFGin BLBplus 4 30.8% 6O8CA
DFGin BLAplus 1 7.7% 4JL9A
DFGin None 1 7.7% 4IWPA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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_HUMAN 4EUUA 1.8 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 307 0 SEP172 D135N Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 4EUUB 1.8 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 307 0 SEP172 D135N Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 4EUTA 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_oooo BX7 Type1 2 - 385 0 None D135N Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 4EUTB 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_oooo BX7 Type1 2 - 385 0 None D135N Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 4IW0A 4.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 657 0 SEP172 D135N Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 6O8BA 3.4 Inactive DFGin‑BLAminus out-out in-out nonTYR APEdihe_aaioi APEdist_oiii BX7 Type1 2 - 656 0 None D135N,S172E Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 6O8BB 3.4 Inactive DFGin‑BLAminus in-in out-in nonTYR APEdihe_aaiii APEdist_iiii BX7 Type1 2 - 654 0 None D135N,S172E Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 4IM2A 2.5 Inactive DFGin‑BLBplus out-out none-none nonTYR APEdihe_aanni APEdist_nnnn BX7 Type1 1 - 657 0 None D135N Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 4IM3A 3.342 Inactive DFGin‑BLBplus out-out none-none nonTYR APEdihe_aannn APEdist_nnnn BX7 Type1 1 - 657 0 None D135N Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_HUMAN 4IWPA 3.065 Inactive DFGin‑None out-out out-none nonTYR APEdihe_aaiii APEdist_nnni BX7 Type1 2 - 657 0 None S172A Serine/threonine-protein kinase TBK1 Homo sapiens
OTHER TBK1 TBK1_MOUSE 4JL9A 3.1 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaoii APEdist_nnno BX7 Type1 2 - 656 0 None None Serine/threonine-protein kinase TBK1 Mus musculus
OTHER TBK1 TBK1_MOUSE 6O8CA 3.17 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aanoo APEdist_nnnn BX7 Type1 2 - 651 0 None S172A Serine/threonine-protein kinase TBK1 Mus musculus
OTHER TBK1 TBK1_MOUSE 6O8CB 3.17 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaoio APEdist_nnno BX7 Type1 2 - 653 0 None S172A Serine/threonine-protein kinase TBK1 Mus musculus

Ligand: BX7

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 6O8CA
DFGin BLAplus 1 33.3% 4JL9A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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 4JL9A 3.1 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaoii APEdist_nnno BX7 Type1 2 - 656 0 None None Serine/threonine-protein kinase TBK1 Mus musculus
OTHER TBK1 TBK1_MOUSE 6O8CA 3.17 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aanoo APEdist_nnnn BX7 Type1 2 - 651 0 None S172A Serine/threonine-protein kinase TBK1 Mus musculus
OTHER TBK1 TBK1_MOUSE 6O8CB 3.17 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaoio APEdist_nnno BX7 Type1 2 - 653 0 None S172A Serine/threonine-protein kinase TBK1 Mus musculus