| 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 | DYRK1A | DYR1A_HUMAN | 8YEVA | Q13627 | 135 | 480 | 763.0 | CUE:501 | Type1 | Active | DFGin | 7.4342 | 14.7861 | BLAminus | -118.94, 172.54 | 64.6, 78.63 | -91.29, 26.52 | 288.98, 71.88 | -65.34, -22.12 | in-in | in | 8.5216 | Saltbr-in | 2.577 | HRD-in | -68.73, -47.85 | 77.13, 4.82 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.782 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.05, 170.5 | APE9-dihe-na | 69.2, 142.92 | APE8-dihe-in | -70.94, 147.42 | APE8-rot-in | 313.88 | APE67-dihe-in | -60.8, -23.15 | -60.0, -43.7 | APE12-dist-in | 12.5559 | APE11-dist-in | 11.3833 | APE10-dist-in | 7.2942 | APE9-dist-in | 3.1518 | None | PTR321 | PTR321 | XRAY | 2.252 | 0.187 | 0.239 | A | 360.0 | 346.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 8yev | CMGC_DYRK1A_HUMAN | CMGC | 8.3e-91 | 310.2 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 8YEVB | Q13627 | 135 | 480 | 763.0 | CUE:501 | Type1 | Active | DFGin | 7.1597 | 14.7233 | BLAminus | -120.23, 173.78 | 62.44, 74.7 | -88.8, 24.95 | 292.77, 72.65 | -67.21, -11.0 | in-in | in | 8.4978 | Saltbr-in | 2.8726 | HRD-in | -63.02, -42.24 | 73.2, 7.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6626 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.96, 167.57 | APE9-dihe-na | 75.54, 148.76 | APE8-dihe-in | -70.82, 139.27 | APE8-rot-in | 281.75 | APE67-dihe-in | -60.51, -21.18 | -55.07, -44.69 | APE12-dist-in | 12.7955 | APE11-dist-in | 11.4333 | APE10-dist-in | 7.2666 | APE9-dist-in | 3.1346 | None | PTR321 | PTR321 | XRAY | 2.252 | 0.187 | 0.239 | B | 360.0 | 341.0 | 5 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 8yev | CMGC_DYRK1A_HUMAN | CMGC | 8.3e-91 | 310.2 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| 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 | DYRK1A | DYR1A_HUMAN | 8YEVA | Q13627 | 135 | 480 | 763.0 | CUE:501 | Type1 | Active | DFGin | 7.4342 | 14.7861 | BLAminus | -118.94, 172.54 | 64.6, 78.63 | -91.29, 26.52 | 288.98, 71.88 | -65.34, -22.12 | in-in | in | 8.5216 | Saltbr-in | 2.577 | HRD-in | -68.73, -47.85 | 77.13, 4.82 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.782 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.05, 170.5 | APE9-dihe-na | 69.2, 142.92 | APE8-dihe-in | -70.94, 147.42 | APE8-rot-in | 313.88 | APE67-dihe-in | -60.8, -23.15 | -60.0, -43.7 | APE12-dist-in | 12.5559 | APE11-dist-in | 11.3833 | APE10-dist-in | 7.2942 | APE9-dist-in | 3.1518 | None | PTR321 | PTR321 | XRAY | 2.252 | 0.187 | 0.239 | A | 360.0 | 346.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 8yev | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 8.3e-91 | 310.2 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 8YEVB | Q13627 | 135 | 480 | 763.0 | CUE:501 | Type1 | Active | DFGin | 7.1597 | 14.7233 | BLAminus | -120.23, 173.78 | 62.44, 74.7 | -88.8, 24.95 | 292.77, 72.65 | -67.21, -11.0 | in-in | in | 8.4978 | Saltbr-in | 2.8726 | HRD-in | -63.02, -42.24 | 73.2, 7.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6626 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.96, 167.57 | APE9-dihe-na | 75.54, 148.76 | APE8-dihe-in | -70.82, 139.27 | APE8-rot-in | 281.75 | APE67-dihe-in | -60.51, -21.18 | -55.07, -44.69 | APE12-dist-in | 12.7955 | APE11-dist-in | 11.4333 | APE10-dist-in | 7.2666 | APE9-dist-in | 3.1346 | None | PTR321 | PTR321 | XRAY | 2.252 | 0.187 | 0.239 | B | 360.0 | 341.0 | 5 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 8yev | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 8.3e-91 | 310.2 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| 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 |
|---|