| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDKL3 | CDKL3_HUMAN | AF-Q8IVW4-K1A | Q8IVW4 | 1 | 294 | 592.0 | No_ligand | No_ligand | Active | DFGin | 7.3308 | 14.3771 | BLAminus | -137.14, 178.92 | 61.86, 61.43 | -78.78, 16.24 | 296.32, 89.78 | -58.49, -31.1 | in-in | in | 8.5523 | Saltbr-in | 2.8202 | HRD-in | -76.7, -46.73 | 66.34, 16.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8358 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.4, 175.55 | APE9-dihe-na | 61.33, 137.23 | APE8-dihe-in | -60.06, 133.52 | APE8-rot-in | 302.67 | APE67-dihe-in | -68.59, -18.51 | -44.98, -45.73 | APE12-dist-in | 7.3833 | APE11-dist-in | 10.9148 | APE10-dist-in | 6.265 | APE9-dist-in | 3.2167 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q8IVW4-K1 | CMGC_CDKL3_HUMAN | CMGC | 9.2e-80 | 274.0 | 1.0 | 301.0 | 301.0 | 142 | 143 | 144 | 146 | 148 | 33 | 50 | 54 | 122 | 124 | 123 | 125.0 | 183 | 170 | 165 | 164 | 163 | 162 | 161 | 160 | 159 | 80 | Cyclin-dependent kinase-like 3 |
| CMGC | CDKL3 | CDKL3_HUMAN | AF-Q8IVW4-K3A | Q8IVW4 | 1 | 294 | 592.0 | No_ligand | No_ligand | Active | DFGin | 6.8322 | 13.6877 | BLAminus | -137.93, 179.75 | 64.2, 60.56 | -72.84, 15.81 | 304.39, 94.49 | -59.36, -33.25 | in-in | in | 8.2495 | Saltbr-in | 2.7193 | HRD-in | -78.15, -46.01 | 63.52, 19.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9316 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.64, 171.85 | APE9-dihe-na | 56.3, 145.11 | APE8-dihe-in | -64.0, 129.9 | APE8-rot-in | 300.33 | APE67-dihe-in | -65.72, -10.8 | -47.01, -49.3 | APE12-dist-in | 12.7163 | APE11-dist-in | 10.5075 | APE10-dist-in | 6.1129 | APE9-dist-in | 3.1266 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q8IVW4-K3 | CMGC_CDKL3_HUMAN | CMGC | 9.2e-80 | 274.0 | 1.0 | 301.0 | 301.0 | 142 | 143 | 144 | 146 | 148 | 33 | 50 | 54 | 122 | 124 | 123 | 125.0 | 183 | 170 | 165 | 164 | 163 | 162 | 161 | 160 | 159 | 80 | Cyclin-dependent kinase-like 3 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDKL3 | CDKL3_HUMAN | AF-Q8IVW4-K1A | Q8IVW4 | 1 | 294 | 592.0 | No_ligand | No_ligand | Active | DFGin | 7.3308 | 14.3771 | BLAminus | -137.14, 178.92 | 61.86, 61.43 | -78.78, 16.24 | 296.32, 89.78 | -58.49, -31.1 | in-in | in | 8.5523 | Saltbr-in | 2.8202 | HRD-in | -76.7, -46.73 | 66.34, 16.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8358 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.4, 175.55 | APE9-dihe-na | 61.33, 137.23 | APE8-dihe-in | -60.06, 133.52 | APE8-rot-in | 302.67 | APE67-dihe-in | -68.59, -18.51 | -44.98, -45.73 | APE12-dist-in | 7.3833 | APE11-dist-in | 10.9148 | APE10-dist-in | 6.265 | APE9-dist-in | 3.2167 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q8IVW4-K1 | Homo sapiens | CMGC_CDKL3_HUMAN | CMGC | 9.2e-80 | 274.0 | 1.0 | 301.0 | 301.0 | 142 | 143 | 144 | 146 | 148 | 33 | 50 | 54 | 122 | 124 | 123 | 125.0 | 183 | 170 | 165 | 164 | 163 | 162 | 161 | 160 | 159 | 80 | Cyclin-dependent kinase-like 3 |
| CMGC | CDKL3 | CDKL3_HUMAN | AF-Q8IVW4-K3A | Q8IVW4 | 1 | 294 | 592.0 | No_ligand | No_ligand | Active | DFGin | 6.8322 | 13.6877 | BLAminus | -137.93, 179.75 | 64.2, 60.56 | -72.84, 15.81 | 304.39, 94.49 | -59.36, -33.25 | in-in | in | 8.2495 | Saltbr-in | 2.7193 | HRD-in | -78.15, -46.01 | 63.52, 19.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9316 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.64, 171.85 | APE9-dihe-na | 56.3, 145.11 | APE8-dihe-in | -64.0, 129.9 | APE8-rot-in | 300.33 | APE67-dihe-in | -65.72, -10.8 | -47.01, -49.3 | APE12-dist-in | 12.7163 | APE11-dist-in | 10.5075 | APE10-dist-in | 6.1129 | APE9-dist-in | 3.1266 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q8IVW4-K3 | Homo sapiens | CMGC_CDKL3_HUMAN | CMGC | 9.2e-80 | 274.0 | 1.0 | 301.0 | 301.0 | 142 | 143 | 144 | 146 | 148 | 33 | 50 | 54 | 122 | 124 | 123 | 125.0 | 183 | 170 | 165 | 164 | 163 | 162 | 161 | 160 | 159 | 80 | Cyclin-dependent kinase-like 3 |
| 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 |
|---|