| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | ANKK1 | ANKK1_HUMAN | AF-Q8NFD2-K1A | Q8NFD2 | 13 | 295 | 765.0 | No_ligand | No_ligand | Active | DFGin | 6.4081 | 13.8721 | BLAminus | -134.88, 173.35 | 63.39, 75.49 | -92.03, 13.73 | 288.88, 94.07 | -63.6, -43.26 | in-in | in | 8.0161 | Saltbr-in | 2.685 | HRD-in | -77.23, -45.82 | 64.12, 1.69 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9021 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -114.21, 137.8 | APE9-dihe-na | 97.89, 173.77 | APE8-dihe-in | -71.35, 125.79 | APE8-rot-na | 182.87 | APE67-dihe-in | -71.28, -12.59 | -47.41, -38.65 | APE12-dist-in | 9.6671 | APE11-dist-in | 11.4477 | APE10-dist-in | 5.9098 | APE9-dist-in | 3.3106 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 32 | 32 | 0 | [[20, 286]] | 1.0 | AF-Q8NFD2-K1 | TKL_ANKK1_HUMAN | TKL | 9e-72 | 247.8 | 5.0 | 262.0 | 258.0 | 162 | 163 | 164 | 166 | 168 | 51 | 71 | 75 | 142 | 144 | 143 | 145.0 | 208 | 194 | 189 | 188 | 187 | 186 | 185 | 184 | 183 | 99 | Ankyrin repeat and protein kinase domain-containing protein 1 |
| TKL | ANKK1 | ANKK1_HUMAN | AF-Q8NFD2-K3A | Q8NFD2 | 13 | 295 | 765.0 | No_ligand | No_ligand | Active | DFGin | 6.3496 | 13.727 | BLAminus | -140.97, 177.58 | 60.42, 74.44 | -88.63, 12.19 | 292.12, 96.93 | -56.17, -44.88 | in-in | in | 8.0561 | Saltbr-in | 2.7214 | HRD-in | -78.85, -44.66 | 64.87, -3.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8846 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -90.32, 143.99 | APE9-dihe-na | 106.03, 175.46 | APE8-dihe-in | -82.24, 119.21 | APE8-rot-na | 184.93 | APE67-dihe-in | -58.83, -26.87 | -50.73, -34.42 | APE12-dist-in | 12.2094 | APE11-dist-in | 11.8626 | APE10-dist-in | 6.2955 | APE9-dist-in | 4.7115 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 32 | 32 | 0 | [[20, 286]] | 1.0 | AF-Q8NFD2-K3 | TKL_ANKK1_HUMAN | TKL | 9e-72 | 247.8 | 5.0 | 262.0 | 258.0 | 162 | 163 | 164 | 166 | 168 | 51 | 71 | 75 | 142 | 144 | 143 | 145.0 | 208 | 194 | 189 | 188 | 187 | 186 | 185 | 184 | 183 | 99 | Ankyrin repeat and protein kinase domain-containing protein 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | ANKK1 | ANKK1_HUMAN | AF-Q8NFD2-K1A | Q8NFD2 | 13 | 295 | 765.0 | No_ligand | No_ligand | Active | DFGin | 6.4081 | 13.8721 | BLAminus | -134.88, 173.35 | 63.39, 75.49 | -92.03, 13.73 | 288.88, 94.07 | -63.6, -43.26 | in-in | in | 8.0161 | Saltbr-in | 2.685 | HRD-in | -77.23, -45.82 | 64.12, 1.69 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9021 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -114.21, 137.8 | APE9-dihe-na | 97.89, 173.77 | APE8-dihe-in | -71.35, 125.79 | APE8-rot-na | 182.87 | APE67-dihe-in | -71.28, -12.59 | -47.41, -38.65 | APE12-dist-in | 9.6671 | APE11-dist-in | 11.4477 | APE10-dist-in | 5.9098 | APE9-dist-in | 3.3106 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 32 | 32 | 0 | [[20, 286]] | 1.0 | AF-Q8NFD2-K1 | Homo sapiens | TKL_ANKK1_HUMAN | TKL | 9e-72 | 247.8 | 5.0 | 262.0 | 258.0 | 162 | 163 | 164 | 166 | 168 | 51 | 71 | 75 | 142 | 144 | 143 | 145.0 | 208 | 194 | 189 | 188 | 187 | 186 | 185 | 184 | 183 | 99 | Ankyrin repeat and protein kinase domain-containing protein 1 |
| TKL | ANKK1 | ANKK1_HUMAN | AF-Q8NFD2-K3A | Q8NFD2 | 13 | 295 | 765.0 | No_ligand | No_ligand | Active | DFGin | 6.3496 | 13.727 | BLAminus | -140.97, 177.58 | 60.42, 74.44 | -88.63, 12.19 | 292.12, 96.93 | -56.17, -44.88 | in-in | in | 8.0561 | Saltbr-in | 2.7214 | HRD-in | -78.85, -44.66 | 64.87, -3.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8846 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -90.32, 143.99 | APE9-dihe-na | 106.03, 175.46 | APE8-dihe-in | -82.24, 119.21 | APE8-rot-na | 184.93 | APE67-dihe-in | -58.83, -26.87 | -50.73, -34.42 | APE12-dist-in | 12.2094 | APE11-dist-in | 11.8626 | APE10-dist-in | 6.2955 | APE9-dist-in | 4.7115 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 283.0 | 283.0 | 0 | 32 | 32 | 0 | [[20, 286]] | 1.0 | AF-Q8NFD2-K3 | Homo sapiens | TKL_ANKK1_HUMAN | TKL | 9e-72 | 247.8 | 5.0 | 262.0 | 258.0 | 162 | 163 | 164 | 166 | 168 | 51 | 71 | 75 | 142 | 144 | 143 | 145.0 | 208 | 194 | 189 | 188 | 187 | 186 | 185 | 184 | 183 | 99 | Ankyrin repeat and protein kinase domain-containing protein 1 |
| 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 | 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 |
|---|