| Gene | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CDKL5 | 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 |
| CDKL5 | 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 |
| CDKL5 | 4BGQA | O76039 | 9 | 302 | 960.0 | 38R:1000 | Type1 | Inactive | DFGin | 6.6413 | 16.3994 | BLAminus | -146.49, -178.32 | 68.85, 66.75 | -91.23, 23.28 | 282.0, 77.66 | -68.87, -22.56 | out-out | out | 10.7137 | Saltbr-out | 5.1315 | HRD-in | -75.17, -47.27 | 74.93, -5.16 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.9548 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -56.91 | APE8-rot-none | 999.0 | APE67-dihe-in | -63.89, -24.07 | -98.46, -5.29 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T169D,Y171E | None | None | XRAY | 2.0 | 0.175 | 0.201 | A | 304.0 | 276.0 | 18 | 29 | 18 | 11 | [[13, 297]] | 1.0 | 4bgq | CMGC_CDKL5_HUMAN | CMGC | 2.1e-84 | 289.2 | 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 |
| CDKL5 | 8CIEA | O76039 | 13 | 303 | 960.0 | US0:401 | Type1 | Inactive | DFGin | 6.9453 | 14.5223 | BLAminus | -135.38, 179.1 | 61.72, 74.98 | -93.12, 8.62 | 283.6, 83.75 | -64.63, -30.41 | in-in | in | 8.3408 | Saltbr-in | 2.418 | HRD-in | -66.08, -47.56 | 79.56, -5.8 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2286 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.99, -38.1 | APE9-dihe-na | -59.84, -34.43 | APE8-dihe-out | -67.07, -38.29 | APE8-rot-in | 287.79 | APE67-dihe-in | -65.42, -13.63 | -51.84, -39.6 | APE12-dist-in | 10.6109 | APE11-dist-in | 11.4394 | APE10-dist-out | 16.1754 | APE9-dist-out | 10.8038 | None | None | None | XRAY | 2.2 | 0.289 | 0.31 | A | 304.0 | 280.0 | 11 | 29 | 29 | 0 | [[13, 297]] | 1.0 | 8cie | CMGC_CDKL5_HUMAN | CMGC | 2.1e-84 | 289.2 | 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 |
| CDKL5 | 9EPUA | O76039 | 12 | 303 | 960.0 | A1H6P:401 | Type1 | Inactive | DFGin | 6.7915 | 14.7538 | BLAminus | -145.59, -178.24 | 70.11, 68.41 | -89.79, 22.48 | 281.26, 77.32 | -69.9, -12.8 | in-in | in | 7.8063 | Saltbr-in | 2.3644 | HRD-in | -75.09, -46.11 | 75.78, -3.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8712 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -71.81, -54.69 | APE9-dihe-na | -49.44, -27.45 | APE8-dihe-out | -83.91, -3.03 | APE8-rot-in | 296.16 | APE67-dihe-in | -66.25, -21.36 | -97.29, -8.32 | APE12-dist-in | 8.4021 | APE11-dist-in | 12.9418 | APE10-dist-out | 16.8877 | APE9-dist-out | 10.9848 | None | None | None | XRAY | 2.6 | 0.228 | 0.27 | A | 304.0 | 276.0 | 16 | 29 | 26 | 3 | [[13, 297]] | 1.0 | 9epu | CMGC_CDKL5_HUMAN | CMGC | 2.1e-84 | 289.2 | 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 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| CDKL5 | CDKL5_HUMAN | 4BGQA | O76039 | 9 | 302 | 960.0 | 38R:1000 | Type1 | Inactive | DFGin | 6.6413 | 16.3994 | BLAminus | -146.49, -178.32 | 68.85, 66.75 | -91.23, 23.28 | 282.0, 77.66 | -68.87, -22.56 | out-out | out | 10.7137 | Saltbr-out | 5.1315 | HRD-in | -75.17, -47.27 | 74.93, -5.16 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.9548 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -56.91 | APE8-rot-none | 999.0 | APE67-dihe-in | -63.89, -24.07 | -98.46, -5.29 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T169D,Y171E | None | None | XRAY | 2.0 | 0.175 | 0.201 | A | 304.0 | 276.0 | 18 | 29 | 18 | 11 | [[13, 297]] | 1.0 | 4bgq | Homo sapiens | CMGC_CDKL5_HUMAN | CMGC | 2.1e-84 | 289.2 | 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 |
| CDKL5 | CDKL5_HUMAN | 8CIEA | O76039 | 13 | 303 | 960.0 | US0:401 | Type1 | Inactive | DFGin | 6.9453 | 14.5223 | BLAminus | -135.38, 179.1 | 61.72, 74.98 | -93.12, 8.62 | 283.6, 83.75 | -64.63, -30.41 | in-in | in | 8.3408 | Saltbr-in | 2.418 | HRD-in | -66.08, -47.56 | 79.56, -5.8 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2286 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -68.99, -38.1 | APE9-dihe-na | -59.84, -34.43 | APE8-dihe-out | -67.07, -38.29 | APE8-rot-in | 287.79 | APE67-dihe-in | -65.42, -13.63 | -51.84, -39.6 | APE12-dist-in | 10.6109 | APE11-dist-in | 11.4394 | APE10-dist-out | 16.1754 | APE9-dist-out | 10.8038 | None | None | None | XRAY | 2.2 | 0.289 | 0.31 | A | 304.0 | 280.0 | 11 | 29 | 29 | 0 | [[13, 297]] | 1.0 | 8cie | Homo sapiens | CMGC_CDKL5_HUMAN | CMGC | 2.1e-84 | 289.2 | 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 |
| CDKL5 | CDKL5_HUMAN | 9EPUA | O76039 | 12 | 303 | 960.0 | A1H6P:401 | Type1 | Inactive | DFGin | 6.7915 | 14.7538 | BLAminus | -145.59, -178.24 | 70.11, 68.41 | -89.79, 22.48 | 281.26, 77.32 | -69.9, -12.8 | in-in | in | 7.8063 | Saltbr-in | 2.3644 | HRD-in | -75.09, -46.11 | 75.78, -3.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8712 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -71.81, -54.69 | APE9-dihe-na | -49.44, -27.45 | APE8-dihe-out | -83.91, -3.03 | APE8-rot-in | 296.16 | APE67-dihe-in | -66.25, -21.36 | -97.29, -8.32 | APE12-dist-in | 8.4021 | APE11-dist-in | 12.9418 | APE10-dist-out | 16.8877 | APE9-dist-out | 10.9848 | None | None | None | XRAY | 2.6 | 0.228 | 0.27 | A | 304.0 | 276.0 | 16 | 29 | 26 | 3 | [[13, 297]] | 1.0 | 9epu | Homo sapiens | CMGC_CDKL5_HUMAN | CMGC | 2.1e-84 | 289.2 | 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 |
|---|
| 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 |
|---|