| 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 | 6I2PA | P9WI81 | 1 | 278 | 626.0 | ACP:301 | ATPlike | Inactive | None | 11.3179 | 16.9719 | None | -125.13, 175.99 | 66.11, 55.5 | -97.33, 137.94 | 289.87, 87.88 | -101.43, 158.5 | in-out | in | 8.3833 | Saltbr-out | 4.1552 | HRD-in | -62.97, -54.02 | 77.2, -15.49 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.9512 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iooo | APE10-dihe-na | -69.22, 139.86 | APE9-dihe-na | 130.91, -153.5 | APE8-dihe-out | -75.55, -19.27 | APE8-rot-out | 56.79 | APE67-dihe-out | -64.87, -19.1 | 65.77, 0.83 | APE12-dist-in | 13.4665 | APE11-dist-out | 18.4416 | APE10-dist-out | 19.0238 | APE9-dist-out | 10.6107 | L33E | TPO171,TPO173 | TPO171,TPO173 | XRAY | 2.37 | 0.221 | 0.234 | A | 280.0 | 272.0 | 6 | 31 | 25 | 6 | [[11, 273]] | 1.0 | 6i2p | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.7e-46 | 164.7 | 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 | 6I2PB | P9WI81 | 2 | 277 | 626.0 | ACP:301 | ATPlike | Inactive | None | 11.7466 | 17.0944 | None | -128.89, 178.08 | 68.33, 50.19 | -91.53, 128.09 | 288.96, 86.92 | -86.75, 157.61 | in-out | in | 8.3942 | Saltbr-out | 4.1975 | HRD-in | -57.76, -51.63 | 76.05, -15.52 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_onnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -18.66 | APE8-rot-none | 999.0 | APE67-dihe-out | -74.3, -17.9 | 61.65, 10.67 | APE12-dist-out | 17.4038 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | L33E | TPO171,TPO173 | TPO171,TPO173 | XRAY | 2.37 | 0.221 | 0.234 | B | 280.0 | 266.0 | 10 | 31 | 21 | 10 | [[11, 273]] | 1.0 | 6i2p | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.7e-46 | 164.7 | 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 | 6I2PA | P9WI81 | 1 | 278 | 626.0 | ACP:301 | ATPlike | Inactive | None | 11.3179 | 16.9719 | None | -125.13, 175.99 | 66.11, 55.5 | -97.33, 137.94 | 289.87, 87.88 | -101.43, 158.5 | in-out | in | 8.3833 | Saltbr-out | 4.1552 | HRD-in | -62.97, -54.02 | 77.2, -15.49 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.9512 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iooo | APE10-dihe-na | -69.22, 139.86 | APE9-dihe-na | 130.91, -153.5 | APE8-dihe-out | -75.55, -19.27 | APE8-rot-out | 56.79 | APE67-dihe-out | -64.87, -19.1 | 65.77, 0.83 | APE12-dist-in | 13.4665 | APE11-dist-out | 18.4416 | APE10-dist-out | 19.0238 | APE9-dist-out | 10.6107 | L33E | TPO171,TPO173 | TPO171,TPO173 | XRAY | 2.37 | 0.221 | 0.234 | A | 280.0 | 272.0 | 6 | 31 | 25 | 6 | [[11, 273]] | 1.0 | 6i2p | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.7e-46 | 164.7 | 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 | 6I2PB | P9WI81 | 2 | 277 | 626.0 | ACP:301 | ATPlike | Inactive | None | 11.7466 | 17.0944 | None | -128.89, 178.08 | 68.33, 50.19 | -91.53, 128.09 | 288.96, 86.92 | -86.75, 157.61 | in-out | in | 8.3942 | Saltbr-out | 4.1975 | HRD-in | -57.76, -51.63 | 76.05, -15.52 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_onnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -18.66 | APE8-rot-none | 999.0 | APE67-dihe-out | -74.3, -17.9 | 61.65, 10.67 | APE12-dist-out | 17.4038 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | L33E | TPO171,TPO173 | TPO171,TPO173 | XRAY | 2.37 | 0.221 | 0.234 | B | 280.0 | 266.0 | 10 | 31 | 21 | 10 | [[11, 273]] | 1.0 | 6i2p | Mycobacterium tuberculosis | OTHER_PKNB_MYCTU | CAMK | 1.7e-46 | 164.7 | 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 |