Ligand: CJJ

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

Ligand: CJJ

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 6B2QB

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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 PKNA PKNA_MYCTU 6B2QB 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_iioo CJJ Type1 3 - 284 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNA PKNA_MYCTU 6B2QC 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoii APEdist_nnno CJJ Type1 3 - 284 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNA PKNA_MYCTU 6B2QD 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nioo CJJ Type1 3 - 283 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNA PKNA_MYCTU 6B2QA 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nnno CJJ, 0BD Type1, Allosteric 3 - 284 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNB PKNB_MYCTU 6B2PA 3.01 Inactive DFGin‑BLAminus in-in none-out nonTYR APEdihe_aanoi APEdist_nnnn CJJ Type1 4 - 278 0 None None Serine/threonine-protein kinase PknB Mycobacterium tuberculosis

Ligand: CJJ

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 6B2QB

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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 PKNA PKNA_MYCTU 6B2QB 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_iioo CJJ Type1 3 - 284 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNA PKNA_MYCTU 6B2QC 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoii APEdist_nnno CJJ Type1 3 - 284 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNA PKNA_MYCTU 6B2QD 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nioo CJJ Type1 3 - 283 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNA PKNA_MYCTU 6B2QA 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nnno CJJ, 0BD Type1, Allosteric 3 - 284 0 TPO224 None Serine/threonine-protein kinase PknA Mycobacterium tuberculosis
OTHER PKNB PKNB_MYCTU 6B2PA 3.01 Inactive DFGin‑BLAminus in-in none-out nonTYR APEdihe_aanoi APEdist_nnnn CJJ Type1 4 - 278 0 None None Serine/threonine-protein kinase PknB Mycobacterium tuberculosis