| 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 | PKNB | PKNB_MYCTU | 3ORIA | P9WI81 | 10 | 290 | 626.0 | AGS:340 | ATPlike | Inactive | DFGin | 7.6365 | 16.8211 | BLBminus | -143.02, 178.07 | 57.81, 48.97 | -59.29, 138.84 | 275.79, 70.17 | -86.17, -173.33 | in-out | in | 9.1936 | Saltbr-out | 4.9561 | HRD-in | -67.8, -54.3 | 82.26, -20.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.136 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -168.83 | APE8-dihe-in | -64.13, 155.66 | APE8-rot-out | 183.22 | APE67-dihe-in | -72.54, -17.42 | -111.5, 12.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.8257 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | A | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |
| OTHER | PKNB | PKNB_MYCTU | 3ORIB | P9WI81 | 10 | 290 | 626.0 | AGS:440 | ATPlike | Inactive | DFGin | 7.6365 | 16.8215 | BLBminus | -139.39, 179.89 | 57.45, 47.17 | -55.79, 146.94 | 279.79, 72.07 | -97.71, -175.54 | in-out | in | 9.2388 | Saltbr-out | 4.9975 | HRD-in | -67.61, -55.18 | 81.88, -18.81 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2269 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 169.96 | APE8-dihe-in | -64.9, 152.58 | APE8-rot-out | 184.06 | APE67-dihe-in | -77.2, -13.88 | -117.03, 17.8 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.8149 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | B | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |
| OTHER | PKNB | PKNB_MYCTU | 3ORIC | P9WI81 | 10 | 290 | 626.0 | AGS:540 | ATPlike | Inactive | DFGin | 6.3032 | 16.0981 | BLBminus | -143.24, 179.91 | 57.58, 51.82 | -56.21, 134.56 | 280.51, 73.24 | -79.01, -172.14 | in-out | in | 9.1487 | Saltbr-out | 3.8915 | HRD-in | -67.31, -55.67 | 84.26, -16.03 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0858 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -178.78 | APE8-dihe-in | -60.28, 145.57 | APE8-rot-out | 180.58 | APE67-dihe-in | -60.63, -15.55 | -107.64, 9.92 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.0043 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | C | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |
| OTHER | PKNB | PKNB_MYCTU | 3ORID | P9WI81 | 10 | 290 | 626.0 | AGS:640 | ATPlike | Inactive | DFGin | 6.1291 | 16.0256 | BLBminus | -145.34, 179.31 | 58.54, 50.53 | -53.37, 134.95 | 282.91, 74.15 | -81.13, -167.82 | in-out | in | 9.4817 | Saltbr-out | 4.4745 | HRD-in | -63.25, -53.67 | 80.9, -20.14 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0601 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 175.93 | APE8-dihe-in | -58.39, 147.34 | APE8-rot-out | 181.02 | APE67-dihe-in | -66.77, -16.29 | -111.95, 16.41 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.1177 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | D | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |
| 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 | PKNB | PKNB_MYCTU | 3ORIA | P9WI81 | 10 | 290 | 626.0 | AGS:340 | ATPlike | Inactive | DFGin | 7.6365 | 16.8211 | BLBminus | -143.02, 178.07 | 57.81, 48.97 | -59.29, 138.84 | 275.79, 70.17 | -86.17, -173.33 | in-out | in | 9.1936 | Saltbr-out | 4.9561 | HRD-in | -67.8, -54.3 | 82.26, -20.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.136 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -168.83 | APE8-dihe-in | -64.13, 155.66 | APE8-rot-out | 183.22 | APE67-dihe-in | -72.54, -17.42 | -111.5, 12.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.8257 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | A | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |
| OTHER | PKNB | PKNB_MYCTU | 3ORIB | P9WI81 | 10 | 290 | 626.0 | AGS:440 | ATPlike | Inactive | DFGin | 7.6365 | 16.8215 | BLBminus | -139.39, 179.89 | 57.45, 47.17 | -55.79, 146.94 | 279.79, 72.07 | -97.71, -175.54 | in-out | in | 9.2388 | Saltbr-out | 4.9975 | HRD-in | -67.61, -55.18 | 81.88, -18.81 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2269 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 169.96 | APE8-dihe-in | -64.9, 152.58 | APE8-rot-out | 184.06 | APE67-dihe-in | -77.2, -13.88 | -117.03, 17.8 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.8149 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | B | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |
| OTHER | PKNB | PKNB_MYCTU | 3ORIC | P9WI81 | 10 | 290 | 626.0 | AGS:540 | ATPlike | Inactive | DFGin | 6.3032 | 16.0981 | BLBminus | -143.24, 179.91 | 57.58, 51.82 | -56.21, 134.56 | 280.51, 73.24 | -79.01, -172.14 | in-out | in | 9.1487 | Saltbr-out | 3.8915 | HRD-in | -67.31, -55.67 | 84.26, -16.03 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0858 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -178.78 | APE8-dihe-in | -60.28, 145.57 | APE8-rot-out | 180.58 | APE67-dihe-in | -60.63, -15.55 | -107.64, 9.92 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.0043 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | C | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |
| OTHER | PKNB | PKNB_MYCTU | 3ORID | P9WI81 | 10 | 290 | 626.0 | AGS:640 | ATPlike | Inactive | DFGin | 6.1291 | 16.0256 | BLBminus | -145.34, 179.31 | 58.54, 50.53 | -53.37, 134.95 | 282.91, 74.15 | -81.13, -167.82 | in-out | in | 9.4817 | Saltbr-out | 4.4745 | HRD-in | -63.25, -53.67 | 80.9, -20.14 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0601 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 175.93 | APE8-dihe-in | -58.39, 147.34 | APE8-rot-out | 181.02 | APE67-dihe-in | -66.77, -16.29 | -111.95, 16.41 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.1177 | L33D | None | None | XRAY | 2.0 | 0.204 | 0.258 | D | 311.0 | 267.0 | 14 | 31 | 17 | 14 | [[11, 273]] | 1.0 | 3ori | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 2.7e-46 | 164.0 | 1.0 | 248.0 | 248.0 | 155 | 156 | 157 | 159 | 161 | 40 | 59 | 63 | 135 | 137 | 136 | 138.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 93 | Serine/threonine-protein kinase PknB |