| 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 | 3F69A | P9WI81 | 3 | 287 | 626.0 | XDR:309 | Type1 | Inactive | None | 11.2401 | 16.192 | None | -124.23, 163.98 | 78.03, 40.64 | -65.84, 141.98 | 286.39, 78.05 | -78.73, 156.63 | in-out | in | 9.008 | Saltbr-out | 4.0002 | HRD-in | -69.42, -54.76 | 84.81, -13.42 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.1533 | ActLoopCT-out | nonTYR | APEdihe_aanio | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 141.44 | APE8-rot-in | 307.53 | APE67-dihe-out | -74.49, -20.24 | 73.63, 0.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | L33D,M145L,M155V | TPO171 | TPO171 | XRAY | 2.8 | 0.221 | 0.268 | A | 311.0 | 270.0 | 15 | 31 | 16 | 15 | [[11, 273]] | 1.0 | 3f69 | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.2e-46 | 165.1 | 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 | 3F69B | P9WI81 | 2 | 287 | 626.0 | XDR:309 | Type1 | Inactive | None | 11.3061 | 16.1838 | None | -117.75, 173.43 | 69.11, 41.5 | -65.67, 137.96 | 280.0, 76.98 | -65.88, 149.67 | in-out | in | 8.7897 | Saltbr-out | 4.2568 | HRD-in | -65.67, -57.44 | 83.29, -10.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3662 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnoo | APE10-dihe-na | 999.0, 9.36 | APE9-dihe-na | -174.68, -176.75 | APE8-dihe-out | -63.49, -56.81 | APE8-rot-out | 50.76 | APE67-dihe-out | -88.31, -11.92 | 59.05, 1.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 21.5512 | APE9-dist-out | 11.9369 | L33D,M145L,M155V | TPO171 | TPO171 | XRAY | 2.8 | 0.221 | 0.268 | B | 311.0 | 283.0 | 3 | 31 | 28 | 3 | [[11, 273]] | 1.0 | 3f69 | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.2e-46 | 165.1 | 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 | 3F69A | P9WI81 | 3 | 287 | 626.0 | XDR:309 | Type1 | Inactive | None | 11.2401 | 16.192 | None | -124.23, 163.98 | 78.03, 40.64 | -65.84, 141.98 | 286.39, 78.05 | -78.73, 156.63 | in-out | in | 9.008 | Saltbr-out | 4.0002 | HRD-in | -69.42, -54.76 | 84.81, -13.42 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.1533 | ActLoopCT-out | nonTYR | APEdihe_aanio | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 141.44 | APE8-rot-in | 307.53 | APE67-dihe-out | -74.49, -20.24 | 73.63, 0.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | L33D,M145L,M155V | TPO171 | TPO171 | XRAY | 2.8 | 0.221 | 0.268 | A | 311.0 | 270.0 | 15 | 31 | 16 | 15 | [[11, 273]] | 1.0 | 3f69 | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.2e-46 | 165.1 | 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 | 3F69B | P9WI81 | 2 | 287 | 626.0 | XDR:309 | Type1 | Inactive | None | 11.3061 | 16.1838 | None | -117.75, 173.43 | 69.11, 41.5 | -65.67, 137.96 | 280.0, 76.98 | -65.88, 149.67 | in-out | in | 8.7897 | Saltbr-out | 4.2568 | HRD-in | -65.67, -57.44 | 83.29, -10.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3662 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnoo | APE10-dihe-na | 999.0, 9.36 | APE9-dihe-na | -174.68, -176.75 | APE8-dihe-out | -63.49, -56.81 | APE8-rot-out | 50.76 | APE67-dihe-out | -88.31, -11.92 | 59.05, 1.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 21.5512 | APE9-dist-out | 11.9369 | L33D,M145L,M155V | TPO171 | TPO171 | XRAY | 2.8 | 0.221 | 0.268 | B | 311.0 | 283.0 | 3 | 31 | 28 | 3 | [[11, 273]] | 1.0 | 3f69 | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.2e-46 | 165.1 | 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 |