| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Gene | 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 |
|---|
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PKNA | PKNA_MYCTU | 6B2QB | P9WI83 | 3 | 284 | 431.0 | CJJ:300 | Type1 | Inactive | DFGin | 5.9088 | 14.6727 | BLAminus | -121.28, 169.3 | 56.85, 92.29 | -106.5, 29.55 | 283.8, 82.59 | -55.34, -48.22 | in-in | in | 8.1901 | Saltbr-in | 2.8185 | HRD-in | -52.72, -43.25 | 68.96, -9.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9707 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -59.31, -32.06 | APE9-dihe-na | -54.33, -50.18 | APE8-dihe-out | -73.19, -55.38 | APE8-rot-out | 60.43 | APE67-dihe-in | -61.72, -25.64 | -41.75, -46.27 | APE12-dist-in | 11.3814 | APE11-dist-in | 13.2636 | APE10-dist-out | 16.742 | APE9-dist-out | 9.7914 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | B | 317.0 | 267.0 | 15 | 29 | 21 | 8 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 6B2QC | P9WI83 | 3 | 284 | 431.0 | CJJ:300 | Type1 | Inactive | DFGin | 5.9453 | 14.8306 | BLAminus | -126.64, 166.22 | 57.88, 88.84 | -99.95, 28.64 | 280.46, 86.87 | -54.88, -31.43 | in-in | in | 8.1149 | Saltbr-in | 3.4091 | HRD-in | -53.92, -48.3 | 71.73, -6.15 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8125 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -61.46 | APE8-dihe-out | -90.51, -39.37 | APE8-rot-in | 305.56 | APE67-dihe-in | -60.7, -30.1 | -58.1, -38.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.2069 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | C | 317.0 | 265.0 | 17 | 29 | 17 | 12 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 6B2QD | P9WI83 | 3 | 283 | 431.0 | CJJ:300 | Type1 | Inactive | DFGin | 6.2095 | 15.1081 | BLAminus | -119.1, 171.22 | 54.47, 89.66 | -105.36, 28.0 | 278.81, 83.93 | -51.9, -37.73 | in-in | in | 7.8457 | Saltbr-in | 2.914 | HRD-in | -47.87, -45.9 | 70.03, -6.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0981 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nioo | APE10-dihe-na | -68.39, -23.43 | APE9-dihe-na | -51.56, -61.4 | APE8-dihe-out | -72.43, -31.76 | APE8-rot-out | 182.82 | APE67-dihe-in | -71.01, -20.92 | -60.31, -29.44 | APE12-dist-none | 999.0 | APE11-dist-in | 12.6492 | APE10-dist-out | 16.7815 | APE9-dist-out | 9.8729 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | D | 317.0 | 260.0 | 21 | 29 | 17 | 12 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 6B2QA | P9WI83 | 3 | 284 | 431.0 | CJJ:301,0BD:302 | Type1,Allosteric | Inactive | DFGin | 5.93 | 14.448 | BLAminus | -138.75, 164.3 | 67.54, 87.18 | -102.29, 28.78 | 290.06, 80.1 | -58.62, -32.36 | in-in | in | 7.9912 | Saltbr-in | 3.4534 | HRD-in | -55.02, -47.78 | 74.23, -13.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7799 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -56.25 | APE8-dihe-out | -67.83, -48.34 | APE8-rot-out | 25.28 | APE67-dihe-in | -65.53, -24.63 | -34.13, -54.31 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.0082 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | A | 317.0 | 262.0 | 20 | 29 | 16 | 13 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 4OW8A | P9WI83 | 3 | 283 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.3952 | 16.5682 | BLBminus | -99.77, 163.47 | 53.13, 55.65 | -68.41, 127.06 | 277.95, 82.45 | 77.96, -35.82 | out-out | out | 12.2826 | Saltbr-out | 13.4152 | HRD-in | -70.6, -52.95 | 75.32, -8.29 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.0345 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -77.02, 113.39 | APE9-dihe-na | 92.22, -138.67 | APE8-dihe-in | -113.81, 152.02 | APE8-rot-in | 335.41 | APE67-dihe-in | -68.71, -23.32 | -103.18, 7.15 | APE12-dist-out | 17.7034 | APE11-dist-out | 14.2173 | APE10-dist-out | 11.4613 | APE9-dist-out | 9.9818 | None | None | None | XRAY | 2.03 | 0.228 | 0.275 | A | 283.0 | 276.0 | 5 | 29 | 29 | 0 | [[13, 265]] | 1.0 | 4ow8 | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 2.8e-44 | 157.4 | 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 |
| 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 |
| 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 |
| 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 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PKNA | PKNA_MYCTU | 6B2QB | P9WI83 | 3 | 284 | 431.0 | CJJ:300 | Type1 | Inactive | DFGin | 5.9088 | 14.6727 | BLAminus | -121.28, 169.3 | 56.85, 92.29 | -106.5, 29.55 | 283.8, 82.59 | -55.34, -48.22 | in-in | in | 8.1901 | Saltbr-in | 2.8185 | HRD-in | -52.72, -43.25 | 68.96, -9.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9707 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | -59.31, -32.06 | APE9-dihe-na | -54.33, -50.18 | APE8-dihe-out | -73.19, -55.38 | APE8-rot-out | 60.43 | APE67-dihe-in | -61.72, -25.64 | -41.75, -46.27 | APE12-dist-in | 11.3814 | APE11-dist-in | 13.2636 | APE10-dist-out | 16.742 | APE9-dist-out | 9.7914 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | B | 317.0 | 267.0 | 15 | 29 | 21 | 8 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 6B2QC | P9WI83 | 3 | 284 | 431.0 | CJJ:300 | Type1 | Inactive | DFGin | 5.9453 | 14.8306 | BLAminus | -126.64, 166.22 | 57.88, 88.84 | -99.95, 28.64 | 280.46, 86.87 | -54.88, -31.43 | in-in | in | 8.1149 | Saltbr-in | 3.4091 | HRD-in | -53.92, -48.3 | 71.73, -6.15 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8125 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -61.46 | APE8-dihe-out | -90.51, -39.37 | APE8-rot-in | 305.56 | APE67-dihe-in | -60.7, -30.1 | -58.1, -38.95 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.2069 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | C | 317.0 | 265.0 | 17 | 29 | 17 | 12 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 6B2QD | P9WI83 | 3 | 283 | 431.0 | CJJ:300 | Type1 | Inactive | DFGin | 6.2095 | 15.1081 | BLAminus | -119.1, 171.22 | 54.47, 89.66 | -105.36, 28.0 | 278.81, 83.93 | -51.9, -37.73 | in-in | in | 7.8457 | Saltbr-in | 2.914 | HRD-in | -47.87, -45.9 | 70.03, -6.13 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0981 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nioo | APE10-dihe-na | -68.39, -23.43 | APE9-dihe-na | -51.56, -61.4 | APE8-dihe-out | -72.43, -31.76 | APE8-rot-out | 182.82 | APE67-dihe-in | -71.01, -20.92 | -60.31, -29.44 | APE12-dist-none | 999.0 | APE11-dist-in | 12.6492 | APE10-dist-out | 16.7815 | APE9-dist-out | 9.8729 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | D | 317.0 | 260.0 | 21 | 29 | 17 | 12 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 6B2QA | P9WI83 | 3 | 284 | 431.0 | CJJ:301,0BD:302 | Type1,Allosteric | Inactive | DFGin | 5.93 | 14.448 | BLAminus | -138.75, 164.3 | 67.54, 87.18 | -102.29, 28.78 | 290.06, 80.1 | -58.62, -32.36 | in-in | in | 7.9912 | Saltbr-in | 3.4534 | HRD-in | -55.02, -47.78 | 74.23, -13.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7799 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -56.25 | APE8-dihe-out | -67.83, -48.34 | APE8-rot-out | 25.28 | APE67-dihe-in | -65.53, -24.63 | -34.13, -54.31 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.0082 | None | TPO224 | TPO224 | XRAY | 2.88 | 0.232 | 0.263 | A | 317.0 | 262.0 | 20 | 29 | 16 | 13 | [[13, 265]] | 1.0 | 6b2q | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 4.2e-44 | 156.8 | 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 |
| PKNA | PKNA_MYCTU | 4OW8A | P9WI83 | 3 | 283 | 431.0 | No_ligand | No_ligand | Inactive | DFGin | 7.3952 | 16.5682 | BLBminus | -99.77, 163.47 | 53.13, 55.65 | -68.41, 127.06 | 277.95, 82.45 | 77.96, -35.82 | out-out | out | 12.2826 | Saltbr-out | 13.4152 | HRD-in | -70.6, -52.95 | 75.32, -8.29 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.0345 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -77.02, 113.39 | APE9-dihe-na | 92.22, -138.67 | APE8-dihe-in | -113.81, 152.02 | APE8-rot-in | 335.41 | APE67-dihe-in | -68.71, -23.32 | -103.18, 7.15 | APE12-dist-out | 17.7034 | APE11-dist-out | 14.2173 | APE10-dist-out | 11.4613 | APE9-dist-out | 9.9818 | None | None | None | XRAY | 2.03 | 0.228 | 0.275 | A | 283.0 | 276.0 | 5 | 29 | 29 | 0 | [[13, 265]] | 1.0 | 4ow8 | Mycobacterium tuberculosis | OTHER_PKNA_MYCTU | CAMK | 2.8e-44 | 157.4 | 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 |
| 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 |
| 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 |
| 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 |