| 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 | 6T6AD | Q13627 | 135 | 481 | 763.0 | No_ligand | No_ligand | Active | DFGin | 7.1214 | 14.6808 | BLAminus | -122.22, 178.29 | 61.07, 75.83 | -93.67, 30.29 | 285.84, 74.34 | -78.24, -5.35 | in-in | in | 8.6334 | Saltbr-in | 2.9419 | HRD-in | -62.69, -43.95 | 76.48, -5.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8471 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.02, 169.54 | APE9-dihe-na | 78.04, 146.93 | APE8-dihe-in | -67.8, 143.97 | APE8-rot-in | 270.75 | APE67-dihe-in | -62.33, -22.62 | -60.21, -42.06 | APE12-dist-in | 12.7746 | APE11-dist-in | 11.385 | APE10-dist-in | 7.064 | APE9-dist-in | 3.1239 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | D | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 | 6T6AA | Q13627 | 135 | 481 | 763.0 | MLW:507 | Type1 | Active | DFGin | 7.0746 | 14.6425 | BLAminus | -121.66, 177.98 | 61.35, 75.17 | -93.42, 30.57 | 286.52, 74.8 | -78.3, -5.71 | in-in | in | 8.6452 | Saltbr-in | 2.9539 | HRD-in | -61.63, -44.5 | 74.44, -4.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.2, 170.61 | APE9-dihe-na | 76.22, 146.16 | APE8-dihe-in | -67.8, 145.05 | APE8-rot-in | 269.7 | APE67-dihe-in | -62.62, -23.02 | -60.27, -42.85 | APE12-dist-in | 12.7657 | APE11-dist-in | 11.3619 | APE10-dist-in | 7.0338 | APE9-dist-in | 3.13 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | A | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 | 6T6AB | Q13627 | 135 | 481 | 763.0 | MLW:506 | Type1 | Active | DFGin | 7.0844 | 14.6627 | BLAminus | -123.66, 178.07 | 61.12, 75.8 | -93.78, 29.12 | 285.48, 75.25 | -75.0, -7.67 | in-in | in | 8.6283 | Saltbr-in | 2.9436 | HRD-in | -61.02, -44.18 | 75.29, -4.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8599 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.29, 171.86 | APE9-dihe-na | 76.73, 147.09 | APE8-dihe-in | -66.82, 144.9 | APE8-rot-in | 270.05 | APE67-dihe-in | -62.24, -23.36 | -61.66, -42.17 | APE12-dist-in | 12.8683 | APE11-dist-in | 11.5037 | APE10-dist-in | 7.1223 | APE9-dist-in | 3.1212 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | B | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 | 6T6AC | Q13627 | 135 | 481 | 763.0 | MLW:506 | Type1 | Active | DFGin | 7.0408 | 14.5917 | BLAminus | -124.36, 178.1 | 60.98, 75.42 | -93.3, 29.52 | 285.85, 76.28 | -78.87, -5.76 | in-in | in | 8.6424 | Saltbr-in | 2.9364 | HRD-in | -63.57, -44.17 | 76.99, -6.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8602 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.62, 170.81 | APE9-dihe-na | 77.22, 146.49 | APE8-dihe-in | -67.43, 144.4 | APE8-rot-in | 270.2 | APE67-dihe-in | -62.89, -21.64 | -59.6, -42.66 | APE12-dist-in | 12.7856 | APE11-dist-in | 11.4207 | APE10-dist-in | 7.0434 | APE9-dist-in | 3.126 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | C | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 | 6T6AD | Q13627 | 135 | 481 | 763.0 | No_ligand | No_ligand | Active | DFGin | 7.1214 | 14.6808 | BLAminus | -122.22, 178.29 | 61.07, 75.83 | -93.67, 30.29 | 285.84, 74.34 | -78.24, -5.35 | in-in | in | 8.6334 | Saltbr-in | 2.9419 | HRD-in | -62.69, -43.95 | 76.48, -5.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8471 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.02, 169.54 | APE9-dihe-na | 78.04, 146.93 | APE8-dihe-in | -67.8, 143.97 | APE8-rot-in | 270.75 | APE67-dihe-in | -62.33, -22.62 | -60.21, -42.06 | APE12-dist-in | 12.7746 | APE11-dist-in | 11.385 | APE10-dist-in | 7.064 | APE9-dist-in | 3.1239 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | D | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 | 6T6AA | Q13627 | 135 | 481 | 763.0 | MLW:507 | Type1 | Active | DFGin | 7.0746 | 14.6425 | BLAminus | -121.66, 177.98 | 61.35, 75.17 | -93.42, 30.57 | 286.52, 74.8 | -78.3, -5.71 | in-in | in | 8.6452 | Saltbr-in | 2.9539 | HRD-in | -61.63, -44.5 | 74.44, -4.8 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.2, 170.61 | APE9-dihe-na | 76.22, 146.16 | APE8-dihe-in | -67.8, 145.05 | APE8-rot-in | 269.7 | APE67-dihe-in | -62.62, -23.02 | -60.27, -42.85 | APE12-dist-in | 12.7657 | APE11-dist-in | 11.3619 | APE10-dist-in | 7.0338 | APE9-dist-in | 3.13 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | A | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 | 6T6AB | Q13627 | 135 | 481 | 763.0 | MLW:506 | Type1 | Active | DFGin | 7.0844 | 14.6627 | BLAminus | -123.66, 178.07 | 61.12, 75.8 | -93.78, 29.12 | 285.48, 75.25 | -75.0, -7.67 | in-in | in | 8.6283 | Saltbr-in | 2.9436 | HRD-in | -61.02, -44.18 | 75.29, -4.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8599 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.29, 171.86 | APE9-dihe-na | 76.73, 147.09 | APE8-dihe-in | -66.82, 144.9 | APE8-rot-in | 270.05 | APE67-dihe-in | -62.24, -23.36 | -61.66, -42.17 | APE12-dist-in | 12.8683 | APE11-dist-in | 11.5037 | APE10-dist-in | 7.1223 | APE9-dist-in | 3.1212 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | B | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 | 6T6AC | Q13627 | 135 | 481 | 763.0 | MLW:506 | Type1 | Active | DFGin | 7.0408 | 14.5917 | BLAminus | -124.36, 178.1 | 60.98, 75.42 | -93.3, 29.52 | 285.85, 76.28 | -78.87, -5.76 | in-in | in | 8.6424 | Saltbr-in | 2.9364 | HRD-in | -63.57, -44.17 | 76.99, -6.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8602 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.62, 170.81 | APE9-dihe-na | 77.22, 146.49 | APE8-dihe-in | -67.43, 144.4 | APE8-rot-in | 270.2 | APE67-dihe-in | -62.89, -21.64 | -59.6, -42.66 | APE12-dist-in | 12.7856 | APE11-dist-in | 11.4207 | APE10-dist-in | 7.0434 | APE9-dist-in | 3.126 | None | PTR321 | PTR321 | XRAY | 2.8 | 0.207 | 0.242 | C | 361.0 | 347.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6t6a | 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 |
|---|