| 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 | 6UIPB | Q13627 | 136 | 478 | 763.0 | Q8J:501 | Type1 | Inactive | DFGin | 6.8948 | 14.9297 | ABAminus | -128.46, -42.33 | -94.91, 127.61 | -132.24, 12.58 | 285.14, 81.63 | -56.41, -45.59 | in-in | in | 9.0869 | Saltbr-in | 2.8984 | HRD-in | -67.7, -47.87 | 68.18, -0.51 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0911 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.31, 177.75 | APE9-dihe-na | 64.01, 150.34 | APE8-dihe-in | -71.42, 137.1 | APE8-rot-in | 300.33 | APE67-dihe-in | -57.48, -29.96 | -50.84, -45.43 | APE12-dist-in | 12.84 | APE11-dist-in | 11.176 | APE10-dist-in | 7.1503 | APE9-dist-in | 2.9743 | None | PTR321 | PTR321 | XRAY | 3.7 | 0.272 | 0.29 | B | 361.0 | 338.0 | 6 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6uip | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-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 | 6UIPC | Q13627 | 131 | 477 | 763.0 | Q8J:501 | Type1 | Inactive | DFGin | 6.9566 | 14.5835 | ABAminus | -128.48, -41.69 | -94.89, 138.63 | -139.05, 93.64 | 283.54, 77.23 | -157.81, 999.0 | in-in | in | 8.6955 | Saltbr-in | 2.6597 | HRD-in | -68.31, -47.09 | 68.76, -0.11 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | -122.81, -42.23 | APE9-dihe-na | -85.49, 157.66 | APE8-dihe-in | -67.92, 135.09 | APE8-rot-out | 172.73 | APE67-dihe-in | -59.1, -31.97 | -53.15, -45.82 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 3.0463 | None | PTR321 | PTR321 | XRAY | 3.7 | 0.272 | 0.29 | C | 361.0 | 306.0 | 39 | 25 | 16 | 9 | [[159, 479]] | 1.0 | 6uip | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-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 | 6UIPA | Q13627 | 131 | 479 | 763.0 | Q8J:501 | Type1 | Inactive | DFGin | 7.3285 | 15.2923 | None | -128.98, -33.2 | -83.24, -86.92 | 68.74, 42.73 | 287.01, 105.17 | -106.11, -43.86 | in-in | in | 8.6072 | Saltbr-in | 2.4441 | HRD-in | -69.31, -45.72 | 68.49, 1.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0339 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -110.27, -51.33 | APE9-dihe-na | -84.83, 157.96 | APE8-dihe-in | -67.65, 136.35 | APE8-rot-in | 301.98 | APE67-dihe-in | -59.01, -29.0 | -52.09, -48.51 | APE12-dist-in | 12.5097 | APE11-dist-in | 10.8491 | APE10-dist-in | 6.989 | APE9-dist-in | 3.2296 | None | PTR321 | PTR321 | XRAY | 3.7 | 0.272 | 0.29 | A | 361.0 | 345.0 | 4 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6uip | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-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 | 6UIPB | Q13627 | 136 | 478 | 763.0 | Q8J:501 | Type1 | Inactive | DFGin | 6.8948 | 14.9297 | ABAminus | -128.46, -42.33 | -94.91, 127.61 | -132.24, 12.58 | 285.14, 81.63 | -56.41, -45.59 | in-in | in | 9.0869 | Saltbr-in | 2.8984 | HRD-in | -67.7, -47.87 | 68.18, -0.51 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0911 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.31, 177.75 | APE9-dihe-na | 64.01, 150.34 | APE8-dihe-in | -71.42, 137.1 | APE8-rot-in | 300.33 | APE67-dihe-in | -57.48, -29.96 | -50.84, -45.43 | APE12-dist-in | 12.84 | APE11-dist-in | 11.176 | APE10-dist-in | 7.1503 | APE9-dist-in | 2.9743 | None | PTR321 | PTR321 | XRAY | 3.7 | 0.272 | 0.29 | B | 361.0 | 338.0 | 6 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6uip | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-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 | 6UIPC | Q13627 | 131 | 477 | 763.0 | Q8J:501 | Type1 | Inactive | DFGin | 6.9566 | 14.5835 | ABAminus | -128.48, -41.69 | -94.89, 138.63 | -139.05, 93.64 | 283.54, 77.23 | -157.81, 999.0 | in-in | in | 8.6955 | Saltbr-in | 2.6597 | HRD-in | -68.31, -47.09 | 68.76, -0.11 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | -122.81, -42.23 | APE9-dihe-na | -85.49, 157.66 | APE8-dihe-in | -67.92, 135.09 | APE8-rot-out | 172.73 | APE67-dihe-in | -59.1, -31.97 | -53.15, -45.82 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 3.0463 | None | PTR321 | PTR321 | XRAY | 3.7 | 0.272 | 0.29 | C | 361.0 | 306.0 | 39 | 25 | 16 | 9 | [[159, 479]] | 1.0 | 6uip | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-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 | 6UIPA | Q13627 | 131 | 479 | 763.0 | Q8J:501 | Type1 | Inactive | DFGin | 7.3285 | 15.2923 | None | -128.98, -33.2 | -83.24, -86.92 | 68.74, 42.73 | 287.01, 105.17 | -106.11, -43.86 | in-in | in | 8.6072 | Saltbr-in | 2.4441 | HRD-in | -69.31, -45.72 | 68.49, 1.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0339 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -110.27, -51.33 | APE9-dihe-na | -84.83, 157.96 | APE8-dihe-in | -67.65, 136.35 | APE8-rot-in | 301.98 | APE67-dihe-in | -59.01, -29.0 | -52.09, -48.51 | APE12-dist-in | 12.5097 | APE11-dist-in | 10.8491 | APE10-dist-in | 6.989 | APE9-dist-in | 3.2296 | None | PTR321 | PTR321 | XRAY | 3.7 | 0.272 | 0.29 | A | 361.0 | 345.0 | 4 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6uip | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-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 |
|---|