| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PKNI | PKNI_MYCTU | 5M06B | P9WI69 | 2 | 255 | 585.0 | ADP:301 | ATPlike | Inactive | DFGin | 8.3159 | 16.6312 | BLBminus | -112.52, 166.29 | 60.43, 51.53 | -60.28, 125.48 | 270.62, 84.02 | 56.24, 31.01 | out-out | out | 14.989 | Saltbr-out | 14.3942 | HRD-in | -80.29, -52.43 | 77.96, -9.32 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5297 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.34, -46.82 | -66.42, 150.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | B | 276.0 | 248.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M07A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0538 | 16.6839 | BLBminus | -112.34, 164.26 | 59.8, 59.58 | -68.13, 128.48 | 271.87, 82.03 | 54.82, 32.02 | out-out | out | 15.0852 | Saltbr-out | 15.3837 | HRD-in | -79.4, -50.73 | 79.98, -6.42 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.201 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -76.55, -45.05 | -64.0, 152.66 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A | None | None | XRAY | 2.5 | 0.21 | 0.235 | A | 276.0 | 248.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m07 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | STE | 1.6e-18 | 77.8 | 2.0 | 204.0 | 203.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M07B | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0646 | 16.3554 | BLBminus | -112.28, 164.78 | 59.86, 59.01 | -68.94, 128.71 | 271.7, 85.59 | 56.72, 31.04 | out-out | out | 14.7986 | Saltbr-out | 15.3681 | HRD-in | -77.22, -52.72 | 75.91, -0.28 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.9488 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -76.14, -45.35 | -64.79, 153.63 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A | None | None | XRAY | 2.5 | 0.21 | 0.235 | B | 276.0 | 247.0 | 5 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m07 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | STE | 1.6e-18 | 77.8 | 2.0 | 204.0 | 203.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M06A | P9WI69 | 1 | 255 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1754 | 16.5707 | BLBminus | -114.34, 166.27 | 60.25, 51.96 | -60.81, 125.3 | 269.64, 85.54 | 57.81, 29.91 | out-out | out | 14.9931 | Saltbr-out | 14.4185 | HRD-in | -78.81, -53.01 | 78.49, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.4917 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.1, -47.6 | -66.6, 151.28 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | A | 276.0 | 245.0 | 6 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5XKAA | P9WI69 | 2 | 260 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1795 | 16.4283 | BLBminus | -111.55, 157.98 | 67.81, 49.81 | -58.56, 130.08 | 277.39, 83.38 | 75.82, 7.58 | out-out | out | 14.8153 | Saltbr-out | 14.0512 | HRD-in | -80.44, -52.98 | 80.92, -7.72 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.6162 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.74, -44.83 | -66.31, 149.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE1,MSE17,MSE23,MSE47,MSE89,MSE101,MSE251 | XRAY | 1.599 | 0.166 | 0.2 | A | 288.0 | 254.0 | 5 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5xka | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.5e-18 | 76.2 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5XKAB | P9WI69 | 2 | 257 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1337 | 16.4248 | BLBminus | -117.62, 158.2 | 69.53, 48.57 | -56.61, 129.83 | 277.38, 79.54 | 70.49, 16.31 | out-out | out | 14.7415 | Saltbr-out | 14.2376 | HRD-in | -78.74, -51.94 | 80.32, -8.77 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5022 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.14, -45.69 | -61.18, 151.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE1,MSE17,MSE23,MSE47,MSE89,MSE101,MSE251 | XRAY | 1.599 | 0.166 | 0.2 | B | 288.0 | 251.0 | 5 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5xka | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.5e-18 | 76.2 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M09A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.4116 | 16.8505 | BLBminus | -124.05, 172.51 | 51.96, 55.09 | -66.12, 129.06 | 262.53, 89.89 | 48.1, 37.55 | out-out | out | 15.1375 | Saltbr-out | 15.4479 | HRD-in | -80.96, -49.43 | 76.55, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.2265 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -69.4, -48.51 | -56.13, 141.78 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | A | 276.0 | 246.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M09B | P9WI69 | 2 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1126 | 16.6427 | BLBminus | -123.78, 172.68 | 52.48, 54.08 | -65.26, 128.73 | 262.51, 92.86 | 51.66, 35.21 | out-out | out | 14.6686 | Saltbr-out | 14.7155 | HRD-in | -76.3, -51.42 | 77.76, -9.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.0055 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -69.98, -49.01 | -59.73, 143.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | B | 276.0 | 245.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M08A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0956 | 16.763 | BLBminus | -120.82, 171.35 | 52.78, 56.25 | -65.27, 130.38 | 263.6, 82.83 | 47.91, 35.04 | out-out | out | 15.0357 | Saltbr-out | 13.7916 | HRD-in | -66.64, -38.83 | 67.33, -13.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7308 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -65.95, -51.86 | -59.44, 147.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136A | None | None | XRAY | 3.03 | 0.185 | 0.208 | A | 276.0 | 247.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m08 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.7e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M08B | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0962 | 16.4434 | BLBminus | -120.49, 171.54 | 54.64, 55.69 | -66.82, 128.42 | 264.88, 84.79 | 51.26, 32.52 | out-out | out | 14.5406 | Saltbr-out | 13.7751 | HRD-in | -68.15, -40.75 | 69.8, -14.9 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7722 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -66.11, -51.38 | -59.84, 148.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136A | None | None | XRAY | 3.03 | 0.185 | 0.208 | B | 276.0 | 253.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m08 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.7e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PKNI | PKNI_MYCTU | 5M06B | P9WI69 | 2 | 255 | 585.0 | ADP:301 | ATPlike | Inactive | DFGin | 8.3159 | 16.6312 | BLBminus | -112.52, 166.29 | 60.43, 51.53 | -60.28, 125.48 | 270.62, 84.02 | 56.24, 31.01 | out-out | out | 14.989 | Saltbr-out | 14.3942 | HRD-in | -80.29, -52.43 | 77.96, -9.32 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5297 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.34, -46.82 | -66.42, 150.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | B | 276.0 | 248.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M07A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0538 | 16.6839 | BLBminus | -112.34, 164.26 | 59.8, 59.58 | -68.13, 128.48 | 271.87, 82.03 | 54.82, 32.02 | out-out | out | 15.0852 | Saltbr-out | 15.3837 | HRD-in | -79.4, -50.73 | 79.98, -6.42 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.201 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -76.55, -45.05 | -64.0, 152.66 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A | None | None | XRAY | 2.5 | 0.21 | 0.235 | A | 276.0 | 248.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m07 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | STE | 1.6e-18 | 77.8 | 2.0 | 204.0 | 203.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M07B | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0646 | 16.3554 | BLBminus | -112.28, 164.78 | 59.86, 59.01 | -68.94, 128.71 | 271.7, 85.59 | 56.72, 31.04 | out-out | out | 14.7986 | Saltbr-out | 15.3681 | HRD-in | -77.22, -52.72 | 75.91, -0.28 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.9488 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -76.14, -45.35 | -64.79, 153.63 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A | None | None | XRAY | 2.5 | 0.21 | 0.235 | B | 276.0 | 247.0 | 5 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m07 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | STE | 1.6e-18 | 77.8 | 2.0 | 204.0 | 203.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M06A | P9WI69 | 1 | 255 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1754 | 16.5707 | BLBminus | -114.34, 166.27 | 60.25, 51.96 | -60.81, 125.3 | 269.64, 85.54 | 57.81, 29.91 | out-out | out | 14.9931 | Saltbr-out | 14.4185 | HRD-in | -78.81, -53.01 | 78.49, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.4917 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.1, -47.6 | -66.6, 151.28 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | A | 276.0 | 245.0 | 6 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5XKAA | P9WI69 | 2 | 260 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1795 | 16.4283 | BLBminus | -111.55, 157.98 | 67.81, 49.81 | -58.56, 130.08 | 277.39, 83.38 | 75.82, 7.58 | out-out | out | 14.8153 | Saltbr-out | 14.0512 | HRD-in | -80.44, -52.98 | 80.92, -7.72 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.6162 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.74, -44.83 | -66.31, 149.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE1,MSE17,MSE23,MSE47,MSE89,MSE101,MSE251 | XRAY | 1.599 | 0.166 | 0.2 | A | 288.0 | 254.0 | 5 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5xka | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.5e-18 | 76.2 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5XKAB | P9WI69 | 2 | 257 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1337 | 16.4248 | BLBminus | -117.62, 158.2 | 69.53, 48.57 | -56.61, 129.83 | 277.38, 79.54 | 70.49, 16.31 | out-out | out | 14.7415 | Saltbr-out | 14.2376 | HRD-in | -78.74, -51.94 | 80.32, -8.77 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5022 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.14, -45.69 | -61.18, 151.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | MSE1,MSE17,MSE23,MSE47,MSE89,MSE101,MSE251 | XRAY | 1.599 | 0.166 | 0.2 | B | 288.0 | 251.0 | 5 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5xka | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.5e-18 | 76.2 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M09A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.4116 | 16.8505 | BLBminus | -124.05, 172.51 | 51.96, 55.09 | -66.12, 129.06 | 262.53, 89.89 | 48.1, 37.55 | out-out | out | 15.1375 | Saltbr-out | 15.4479 | HRD-in | -80.96, -49.43 | 76.55, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.2265 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -69.4, -48.51 | -56.13, 141.78 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | A | 276.0 | 246.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M09B | P9WI69 | 2 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1126 | 16.6427 | BLBminus | -123.78, 172.68 | 52.48, 54.08 | -65.26, 128.73 | 262.51, 92.86 | 51.66, 35.21 | out-out | out | 14.6686 | Saltbr-out | 14.7155 | HRD-in | -76.3, -51.42 | 77.76, -9.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.0055 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -69.98, -49.01 | -59.73, 143.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | B | 276.0 | 245.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M08A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0956 | 16.763 | BLBminus | -120.82, 171.35 | 52.78, 56.25 | -65.27, 130.38 | 263.6, 82.83 | 47.91, 35.04 | out-out | out | 15.0357 | Saltbr-out | 13.7916 | HRD-in | -66.64, -38.83 | 67.33, -13.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7308 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -65.95, -51.86 | -59.44, 147.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136A | None | None | XRAY | 3.03 | 0.185 | 0.208 | A | 276.0 | 247.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m08 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.7e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| PKNI | PKNI_MYCTU | 5M08B | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0962 | 16.4434 | BLBminus | -120.49, 171.54 | 54.64, 55.69 | -66.82, 128.42 | 264.88, 84.79 | 51.26, 32.52 | out-out | out | 14.5406 | Saltbr-out | 13.7751 | HRD-in | -68.15, -40.75 | 69.8, -14.9 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7722 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -66.11, -51.38 | -59.84, 148.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136A | None | None | XRAY | 3.03 | 0.185 | 0.208 | B | 276.0 | 253.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m08 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.7e-18 | 75.0 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |