| 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 | 4NCTA | Q13627 | 134 | 480 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.45 | 15.223 | BLAminus | -119.55, 166.32 | 66.7, 85.69 | -102.67, 26.83 | 290.37, 74.07 | -64.21, -35.16 | in-in | in | 8.649 | Saltbr-in | 2.708 | HRD-in | -61.53, -41.99 | 82.27, -8.19 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.351 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -139.9, 164.55 | APE9-dihe-na | 71.96, 159.44 | APE8-dihe-in | -83.39, 140.05 | APE8-rot-in | 288.68 | APE67-dihe-in | -54.11, -34.74 | -49.22, -50.15 | APE12-dist-out | 14.148 | APE11-dist-in | 11.947 | APE10-dist-out | 8.466 | APE9-dist-in | 3.233 | None | PTR321 | PTR321 | XRAY | 2.597 | 0.21 | 0.249 | A | 368 | 342 | 5 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 4NCTB | Q13627 | 133 | 480 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.537 | 15.483 | BLAminus | -112.81, 170.12 | 65.22, 81.69 | -98.56, 30.84 | 285.57, 81.33 | -75.02, -33.69 | in-in | in | 8.788 | Saltbr-in | 2.746 | HRD-in | -63.66, -42.9 | 78.55, 1.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.924 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -129.36, 161.46 | APE9-dihe-na | 75.46, 146.38 | APE8-dihe-in | -68.35, 143.08 | APE8-rot-in | 284.05 | APE67-dihe-in | -64.51, -32.58 | -57.82, -38.26 | APE12-dist-out | 14.378 | APE11-dist-in | 12.147 | APE10-dist-out | 8.615 | APE9-dist-in | 3.255 | None | PTR321 | PTR321 | XRAY | 2.597 | 0.21 | 0.249 | B | 368 | 334 | 14 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 4NCTC | Q13627 | 134 | 479 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.716 | 15.479 | BLAminus | -129.64, 158.78 | 69.37, 79.12 | -97.74, 33.39 | 284.73, 80.36 | -86.72, -36.3 | in-in | in | 8.64 | Saltbr-in | 2.724 | HRD-in | -62.5, -46.61 | 84.64, -8.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.262 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -141.23, 169.47 | APE9-dihe-na | 67.55, 148.75 | APE8-dihe-in | -69.0, 145.46 | APE8-rot-in | 286.67 | APE67-dihe-in | -54.3, -28.09 | -54.21, -53.36 | APE12-dist-out | 14.259 | APE11-dist-in | 12.041 | APE10-dist-out | 8.519 | APE9-dist-in | 3.205 | None | SEP301,PTR321 | SEP301,PTR321 | XRAY | 2.597 | 0.21 | 0.249 | C | 368 | 341 | 5 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 4NCTD | Q13627 | 134 | 480 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.679 | 15.463 | BLAminus | -116.8, 164.71 | 65.44, 83.98 | -98.76, 30.67 | 288.35, 84.66 | -82.45, -24.84 | in-in | in | 8.59 | Saltbr-in | 2.683 | HRD-in | -56.14, -45.28 | 80.34, 2.84 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.216 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -143.29, 160.78 | APE9-dihe-na | 73.56, 144.01 | APE8-dihe-in | -64.76, 138.99 | APE8-rot-in | 292.07 | APE67-dihe-in | -62.66, -32.93 | -50.17, -43.53 | APE12-dist-out | 14.251 | APE11-dist-in | 12.008 | APE10-dist-out | 8.504 | APE9-dist-in | 3.31 | None | PTR321 | PTR321 | XRAY | 2.597 | 0.21 | 0.249 | D | 368 | 332 | 15 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 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 | 4NCTA | Q13627 | 134 | 480 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.45 | 15.223 | BLAminus | -119.55, 166.32 | 66.7, 85.69 | -102.67, 26.83 | 290.37, 74.07 | -64.21, -35.16 | in-in | in | 8.649 | Saltbr-in | 2.708 | HRD-in | -61.53, -41.99 | 82.27, -8.19 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.351 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -139.9, 164.55 | APE9-dihe-na | 71.96, 159.44 | APE8-dihe-in | -83.39, 140.05 | APE8-rot-in | 288.68 | APE67-dihe-in | -54.11, -34.74 | -49.22, -50.15 | APE12-dist-out | 14.148 | APE11-dist-in | 11.947 | APE10-dist-out | 8.466 | APE9-dist-in | 3.233 | None | PTR321 | PTR321 | XRAY | 2.597 | 0.21 | 0.249 | A | 368 | 342 | 5 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 4NCTB | Q13627 | 133 | 480 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.537 | 15.483 | BLAminus | -112.81, 170.12 | 65.22, 81.69 | -98.56, 30.84 | 285.57, 81.33 | -75.02, -33.69 | in-in | in | 8.788 | Saltbr-in | 2.746 | HRD-in | -63.66, -42.9 | 78.55, 1.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.924 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -129.36, 161.46 | APE9-dihe-na | 75.46, 146.38 | APE8-dihe-in | -68.35, 143.08 | APE8-rot-in | 284.05 | APE67-dihe-in | -64.51, -32.58 | -57.82, -38.26 | APE12-dist-out | 14.378 | APE11-dist-in | 12.147 | APE10-dist-out | 8.615 | APE9-dist-in | 3.255 | None | PTR321 | PTR321 | XRAY | 2.597 | 0.21 | 0.249 | B | 368 | 334 | 14 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 4NCTC | Q13627 | 134 | 479 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.716 | 15.479 | BLAminus | -129.64, 158.78 | 69.37, 79.12 | -97.74, 33.39 | 284.73, 80.36 | -86.72, -36.3 | in-in | in | 8.64 | Saltbr-in | 2.724 | HRD-in | -62.5, -46.61 | 84.64, -8.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.262 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -141.23, 169.47 | APE9-dihe-na | 67.55, 148.75 | APE8-dihe-in | -69.0, 145.46 | APE8-rot-in | 286.67 | APE67-dihe-in | -54.3, -28.09 | -54.21, -53.36 | APE12-dist-out | 14.259 | APE11-dist-in | 12.041 | APE10-dist-out | 8.519 | APE9-dist-in | 3.205 | None | SEP301,PTR321 | SEP301,PTR321 | XRAY | 2.597 | 0.21 | 0.249 | C | 368 | 341 | 5 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 4NCTD | Q13627 | 134 | 480 | 763.0 | 2K2:501 | Type1 | Inactive | DFGin | 7.679 | 15.463 | BLAminus | -116.8, 164.71 | 65.44, 83.98 | -98.76, 30.67 | 288.35, 84.66 | -82.45, -24.84 | in-in | in | 8.59 | Saltbr-in | 2.683 | HRD-in | -56.14, -45.28 | 80.34, 2.84 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.216 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -143.29, 160.78 | APE9-dihe-na | 73.56, 144.01 | APE8-dihe-in | -64.76, 138.99 | APE8-rot-in | 292.07 | APE67-dihe-in | -62.66, -32.93 | -50.17, -43.53 | APE12-dist-out | 14.251 | APE11-dist-in | 12.008 | APE10-dist-out | 8.504 | APE9-dist-in | 3.31 | None | PTR321 | PTR321 | XRAY | 2.597 | 0.21 | 0.249 | D | 368 | 332 | 15 | 0 | 0 | 0 | [[159, 479]] | 1.0 | 4nct | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9e-91 | 310.1 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 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 |
|---|