| 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 | CDKL5 | CDKL5_HUMAN | AF-O76039-K1A | O76039 | 5 | 305 | 960.0 | No_ligand | No_ligand | Active | DFGin | 6.6164 | 14.6609 | BLAminus | -136.07, 177.68 | 60.87, 71.76 | -82.76, 16.96 | 285.64, 76.61 | -59.9, -36.88 | in-in | in | 8.899 | Saltbr-in | 2.9103 | HRD-in | -74.11, -46.73 | 62.28, 16.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9814 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -114.14, 157.89 | APE9-dihe-na | 63.24, 141.46 | APE8-dihe-in | -59.26, 134.49 | APE8-rot-in | 301.23 | APE67-dihe-in | -63.18, -25.69 | -49.58, -43.74 | APE12-dist-in | 13.2265 | APE11-dist-in | 10.6332 | APE10-dist-in | 6.2445 | APE9-dist-in | 3.1592 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 29 | 29 | 0 | [[13, 297]] | 1.0 | AF-O76039-K1 | CMGC_CDKL5_HUMAN | CMGC | 3e-85 | 292.0 | 1.0 | 300.0 | 300.0 | 152 | 153 | 154 | 156 | 158 | 42 | 60 | 64 | 132 | 134 | 133 | 135.0 | 193 | 181 | 176 | 175 | 174 | 173 | 172 | 171 | 170 | 90 | Cyclin-dependent kinase-like 5 |
| CMGC | CDKL5 | CDKL5_HUMAN | AF-O76039-K3A | O76039 | 5 | 305 | 960.0 | No_ligand | No_ligand | Active | DFGin | 6.3799 | 14.5687 | BLAminus | -135.21, -179.4 | 59.2, 71.28 | -81.53, 13.86 | 287.9, 78.93 | -57.07, -40.59 | in-in | in | 8.5058 | Saltbr-in | 2.7505 | HRD-in | -76.53, -47.61 | 66.44, 2.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9172 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.17, 153.4 | APE9-dihe-na | 60.48, 150.09 | APE8-dihe-in | -58.09, 134.7 | APE8-rot-in | 295.86 | APE67-dihe-in | -61.87, -22.51 | -50.82, -39.79 | APE12-dist-in | 12.3194 | APE11-dist-in | 10.21 | APE10-dist-in | 6.0565 | APE9-dist-in | 3.7474 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 29 | 29 | 0 | [[13, 297]] | 1.0 | AF-O76039-K3 | CMGC_CDKL5_HUMAN | CMGC | 3e-85 | 292.0 | 1.0 | 300.0 | 300.0 | 152 | 153 | 154 | 156 | 158 | 42 | 60 | 64 | 132 | 134 | 133 | 135.0 | 193 | 181 | 176 | 175 | 174 | 173 | 172 | 171 | 170 | 90 | Cyclin-dependent kinase-like 5 |
| 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 | CDKL5 | CDKL5_HUMAN | AF-O76039-K1A | O76039 | 5 | 305 | 960.0 | No_ligand | No_ligand | Active | DFGin | 6.6164 | 14.6609 | BLAminus | -136.07, 177.68 | 60.87, 71.76 | -82.76, 16.96 | 285.64, 76.61 | -59.9, -36.88 | in-in | in | 8.899 | Saltbr-in | 2.9103 | HRD-in | -74.11, -46.73 | 62.28, 16.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9814 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -114.14, 157.89 | APE9-dihe-na | 63.24, 141.46 | APE8-dihe-in | -59.26, 134.49 | APE8-rot-in | 301.23 | APE67-dihe-in | -63.18, -25.69 | -49.58, -43.74 | APE12-dist-in | 13.2265 | APE11-dist-in | 10.6332 | APE10-dist-in | 6.2445 | APE9-dist-in | 3.1592 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 29 | 29 | 0 | [[13, 297]] | 1.0 | AF-O76039-K1 | Homo sapiens | CMGC_CDKL5_HUMAN | CMGC | 3e-85 | 292.0 | 1.0 | 300.0 | 300.0 | 152 | 153 | 154 | 156 | 158 | 42 | 60 | 64 | 132 | 134 | 133 | 135.0 | 193 | 181 | 176 | 175 | 174 | 173 | 172 | 171 | 170 | 90 | Cyclin-dependent kinase-like 5 |
| CMGC | CDKL5 | CDKL5_HUMAN | AF-O76039-K3A | O76039 | 5 | 305 | 960.0 | No_ligand | No_ligand | Active | DFGin | 6.3799 | 14.5687 | BLAminus | -135.21, -179.4 | 59.2, 71.28 | -81.53, 13.86 | 287.9, 78.93 | -57.07, -40.59 | in-in | in | 8.5058 | Saltbr-in | 2.7505 | HRD-in | -76.53, -47.61 | 66.44, 2.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9172 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.17, 153.4 | APE9-dihe-na | 60.48, 150.09 | APE8-dihe-in | -58.09, 134.7 | APE8-rot-in | 295.86 | APE67-dihe-in | -61.87, -22.51 | -50.82, -39.79 | APE12-dist-in | 12.3194 | APE11-dist-in | 10.21 | APE10-dist-in | 6.0565 | APE9-dist-in | 3.7474 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 29 | 29 | 0 | [[13, 297]] | 1.0 | AF-O76039-K3 | Homo sapiens | CMGC_CDKL5_HUMAN | CMGC | 3e-85 | 292.0 | 1.0 | 300.0 | 300.0 | 152 | 153 | 154 | 156 | 158 | 42 | 60 | 64 | 132 | 134 | 133 | 135.0 | 193 | 181 | 176 | 175 | 174 | 173 | 172 | 171 | 170 | 90 | Cyclin-dependent kinase-like 5 |
| 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 |
|---|