| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | PKNA | PKNA_MYCTU | 4X3FA | P9WI83 | 3 | 289 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1883 | 14.8336 | BLBminus | -112.26, 174.9 | 44.94, 71.96 | -67.36, 137.17 | 263.95, 82.23 | -72.54, 73.7 | out-none | out | 12.6546 | Saltbr-none | 999.0 | HRD-in | -66.07, -47.64 | 75.14, -12.39 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.8697 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -52.53 | APE9-dihe-na | -60.69, -26.17 | APE8-dihe-out | -76.57, -44.11 | APE8-rot-in | 308.32 | APE67-dihe-in | -64.75, -25.22 | -66.56, -28.53 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 21.4705 | APE9-dist-out | 11.0243 | None | SEP46,TPO152,TPO224 | SEP46,TPO152,TPO224 | XRAY | 2.9 | 0.22 | 0.243 | A | 337.0 | 277.0 | 10 | 29 | 19 | 10 | [[13, 265]] | 1.0 | 4x3f | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 5.2e-44 | 156.5 | 1.0 | 245.0 | 245.0 | 158 | 159 | 160 | 162 | 164 | 42 | 61 | 65 | 138 | 140 | 139 | 141.0 | 199 | 187 | 182 | 181 | 180 | 179 | 178 | 177 | 176 | 96 | Serine/threonine-protein kinase PknA |
| OTHER | PKNA | PKNA_MYCTU | 4X3FB | P9WI83 | 1 | 289 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1587 | 15.2572 | BLBminus | -112.68, -178.42 | 38.88, 58.28 | -52.17, 134.65 | 254.84, 94.45 | -71.7, 73.35 | out-none | out | 12.8307 | Saltbr-none | 999.0 | HRD-in | -65.46, -48.27 | 76.71, -14.81 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.0953 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -54.0, -49.24 | APE9-dihe-na | -60.29, -26.47 | APE8-dihe-out | -76.77, -44.17 | APE8-rot-in | 306.41 | APE67-dihe-in | -66.8, -24.09 | -66.77, -27.57 | APE12-dist-out | 17.3271 | APE11-dist-out | 16.6877 | APE10-dist-out | 21.2058 | APE9-dist-out | 10.9954 | None | TPO21,TPO224 | TPO21,TPO224 | XRAY | 2.9 | 0.22 | 0.243 | B | 337.0 | 279.0 | 10 | 29 | 19 | 10 | [[13, 265]] | 1.0 | 4x3f | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 5.2e-44 | 156.5 | 1.0 | 245.0 | 245.0 | 158 | 159 | 160 | 162 | 164 | 42 | 61 | 65 | 138 | 140 | 139 | 141.0 | 199 | 187 | 182 | 181 | 180 | 179 | 178 | 177 | 176 | 96 | Serine/threonine-protein kinase PknA |
| OTHER | PKNA | PKNA_MYCTU | 4X3FC | P9WI83 | 2 | 289 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.3209 | 15.0128 | BLBminus | -116.39, -176.67 | 39.68, 55.51 | -54.01, 132.28 | 259.06, 84.2 | -72.77, 77.94 | out-none | out | 12.7688 | Saltbr-none | 999.0 | HRD-in | -67.03, -47.23 | 75.89, -14.36 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -55.47, -50.26 | APE9-dihe-na | -59.67, -26.93 | APE8-dihe-out | -76.55, -44.16 | APE8-rot-in | 306.56 | APE67-dihe-in | -66.68, -25.25 | -66.41, -27.57 | APE12-dist-out | 17.5894 | APE11-dist-out | 16.7691 | APE10-dist-out | 21.3714 | APE9-dist-out | 11.0548 | None | TPO224 | TPO224 | XRAY | 2.9 | 0.22 | 0.243 | C | 337.0 | 274.0 | 14 | 29 | 17 | 12 | [[13, 265]] | 1.0 | 4x3f | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 5.2e-44 | 156.5 | 1.0 | 245.0 | 245.0 | 158 | 159 | 160 | 162 | 164 | 42 | 61 | 65 | 138 | 140 | 139 | 141.0 | 199 | 187 | 182 | 181 | 180 | 179 | 178 | 177 | 176 | 96 | Serine/threonine-protein kinase PknA |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | PKNA | PKNA_MYCTU | 4X3FA | P9WI83 | 3 | 289 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1883 | 14.8336 | BLBminus | -112.26, 174.9 | 44.94, 71.96 | -67.36, 137.17 | 263.95, 82.23 | -72.54, 73.7 | out-none | out | 12.6546 | Saltbr-none | 999.0 | HRD-in | -66.07, -47.64 | 75.14, -12.39 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.8697 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -52.53 | APE9-dihe-na | -60.69, -26.17 | APE8-dihe-out | -76.57, -44.11 | APE8-rot-in | 308.32 | APE67-dihe-in | -64.75, -25.22 | -66.56, -28.53 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 21.4705 | APE9-dist-out | 11.0243 | None | SEP46,TPO152,TPO224 | SEP46,TPO152,TPO224 | XRAY | 2.9 | 0.22 | 0.243 | A | 337.0 | 277.0 | 10 | 29 | 19 | 10 | [[13, 265]] | 1.0 | 4x3f | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 5.2e-44 | 156.5 | 1.0 | 245.0 | 245.0 | 158 | 159 | 160 | 162 | 164 | 42 | 61 | 65 | 138 | 140 | 139 | 141.0 | 199 | 187 | 182 | 181 | 180 | 179 | 178 | 177 | 176 | 96 | Serine/threonine-protein kinase PknA |
| OTHER | PKNA | PKNA_MYCTU | 4X3FB | P9WI83 | 1 | 289 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1587 | 15.2572 | BLBminus | -112.68, -178.42 | 38.88, 58.28 | -52.17, 134.65 | 254.84, 94.45 | -71.7, 73.35 | out-none | out | 12.8307 | Saltbr-none | 999.0 | HRD-in | -65.46, -48.27 | 76.71, -14.81 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.0953 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -54.0, -49.24 | APE9-dihe-na | -60.29, -26.47 | APE8-dihe-out | -76.77, -44.17 | APE8-rot-in | 306.41 | APE67-dihe-in | -66.8, -24.09 | -66.77, -27.57 | APE12-dist-out | 17.3271 | APE11-dist-out | 16.6877 | APE10-dist-out | 21.2058 | APE9-dist-out | 10.9954 | None | TPO21,TPO224 | TPO21,TPO224 | XRAY | 2.9 | 0.22 | 0.243 | B | 337.0 | 279.0 | 10 | 29 | 19 | 10 | [[13, 265]] | 1.0 | 4x3f | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 5.2e-44 | 156.5 | 1.0 | 245.0 | 245.0 | 158 | 159 | 160 | 162 | 164 | 42 | 61 | 65 | 138 | 140 | 139 | 141.0 | 199 | 187 | 182 | 181 | 180 | 179 | 178 | 177 | 176 | 96 | Serine/threonine-protein kinase PknA |
| OTHER | PKNA | PKNA_MYCTU | 4X3FC | P9WI83 | 2 | 289 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.3209 | 15.0128 | BLBminus | -116.39, -176.67 | 39.68, 55.51 | -54.01, 132.28 | 259.06, 84.2 | -72.77, 77.94 | out-none | out | 12.7688 | Saltbr-none | 999.0 | HRD-in | -67.03, -47.23 | 75.89, -14.36 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -55.47, -50.26 | APE9-dihe-na | -59.67, -26.93 | APE8-dihe-out | -76.55, -44.16 | APE8-rot-in | 306.56 | APE67-dihe-in | -66.68, -25.25 | -66.41, -27.57 | APE12-dist-out | 17.5894 | APE11-dist-out | 16.7691 | APE10-dist-out | 21.3714 | APE9-dist-out | 11.0548 | None | TPO224 | TPO224 | XRAY | 2.9 | 0.22 | 0.243 | C | 337.0 | 274.0 | 14 | 29 | 17 | 12 | [[13, 265]] | 1.0 | 4x3f | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 5.2e-44 | 156.5 | 1.0 | 245.0 | 245.0 | 158 | 159 | 160 | 162 | 164 | 42 | 61 | 65 | 138 | 140 | 139 | 141.0 | 199 | 187 | 182 | 181 | 180 | 179 | 178 | 177 | 176 | 96 | Serine/threonine-protein kinase PknA |