| 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 | MAPK3 | MK03_HUMAN | 2ZOQA | P27361 | 24 | 375 | 379.0 | 5ID:382 | Type1 | Inactive | DFGin | 6.8223 | 14.8763 | BLAminus | -110.57, 174.03 | 16.61, 106.79 | -100.79, 23.94 | 292.4, 62.55 | -56.98, -29.52 | in-in | in | 9.2231 | Saltbr-in | 2.8581 | HRD-in | -74.22, -49.1 | 69.67, -4.29 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7148 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -88.46, -39.85 | APE9-dihe-na | -45.11, 153.81 | APE8-dihe-in | -55.88, 121.07 | APE8-rot-in | 311.89 | APE67-dihe-in | -58.47, -14.87 | -49.12, -49.9 | APE12-dist-out | 14.3791 | APE11-dist-in | 9.7967 | APE10-dist-in | 6.8647 | APE9-dist-in | 4.6144 | None | PTR204 | PTR204 | XRAY | 2.39 | 0.249 | 0.267 | A | 382.0 | 352.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 2zoq | CMGC_MAPK3_HUMAN | CMGC | 3.2e-87 | 298.5 | 1.0 | 301.0 | 301.0 | 183 | 184 | 185 | 187 | 189 | 71 | 88 | 92 | 163 | 165 | 164 | 166.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 123 | Mitogen-activated protein kinase 3 |
| CMGC | MAPK3 | MK03_HUMAN | 2ZOQB | P27361 | 24 | 375 | 379.0 | 5ID:382 | Type1 | Inactive | DFGin | 7.0812 | 14.6957 | BLAminus | -126.97, -169.7 | 58.49, 71.36 | -96.75, 32.61 | 283.64, 67.73 | -68.29, -24.37 | in-out | in | 9.6478 | Saltbr-out | 3.7469 | HRD-in | -67.75, -54.76 | 76.39, 2.97 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7866 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiii | APE10-dihe-na | -62.22, -135.12 | APE9-dihe-na | -49.82, -170.24 | APE8-dihe-out | -38.65, -56.7 | APE8-rot-in | 299.06 | APE67-dihe-out | -72.56, -16.77 | 136.84, -44.19 | APE12-dist-in | 13.6669 | APE11-dist-in | 11.4134 | APE10-dist-in | 7.869 | APE9-dist-in | 4.0763 | None | PTR204 | PTR204 | XRAY | 2.39 | 0.249 | 0.267 | B | 382.0 | 352.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 2zoq | CMGC_MAPK3_HUMAN | CMGC | 3.2e-87 | 298.5 | 1.0 | 301.0 | 301.0 | 183 | 184 | 185 | 187 | 189 | 71 | 88 | 92 | 163 | 165 | 164 | 166.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 123 | Mitogen-activated protein kinase 3 |
| 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 | MAPK3 | MK03_HUMAN | 2ZOQA | P27361 | 24 | 375 | 379.0 | 5ID:382 | Type1 | Inactive | DFGin | 6.8223 | 14.8763 | BLAminus | -110.57, 174.03 | 16.61, 106.79 | -100.79, 23.94 | 292.4, 62.55 | -56.98, -29.52 | in-in | in | 9.2231 | Saltbr-in | 2.8581 | HRD-in | -74.22, -49.1 | 69.67, -4.29 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7148 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -88.46, -39.85 | APE9-dihe-na | -45.11, 153.81 | APE8-dihe-in | -55.88, 121.07 | APE8-rot-in | 311.89 | APE67-dihe-in | -58.47, -14.87 | -49.12, -49.9 | APE12-dist-out | 14.3791 | APE11-dist-in | 9.7967 | APE10-dist-in | 6.8647 | APE9-dist-in | 4.6144 | None | PTR204 | PTR204 | XRAY | 2.39 | 0.249 | 0.267 | A | 382.0 | 352.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 2zoq | Homo sapiens | CMGC_MAPK3_HUMAN | CMGC | 3.2e-87 | 298.5 | 1.0 | 301.0 | 301.0 | 183 | 184 | 185 | 187 | 189 | 71 | 88 | 92 | 163 | 165 | 164 | 166.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 123 | Mitogen-activated protein kinase 3 |
| CMGC | MAPK3 | MK03_HUMAN | 2ZOQB | P27361 | 24 | 375 | 379.0 | 5ID:382 | Type1 | Inactive | DFGin | 7.0812 | 14.6957 | BLAminus | -126.97, -169.7 | 58.49, 71.36 | -96.75, 32.61 | 283.64, 67.73 | -68.29, -24.37 | in-out | in | 9.6478 | Saltbr-out | 3.7469 | HRD-in | -67.75, -54.76 | 76.39, 2.97 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7866 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_iiii | APE10-dihe-na | -62.22, -135.12 | APE9-dihe-na | -49.82, -170.24 | APE8-dihe-out | -38.65, -56.7 | APE8-rot-in | 299.06 | APE67-dihe-out | -72.56, -16.77 | 136.84, -44.19 | APE12-dist-in | 13.6669 | APE11-dist-in | 11.4134 | APE10-dist-in | 7.869 | APE9-dist-in | 4.0763 | None | PTR204 | PTR204 | XRAY | 2.39 | 0.249 | 0.267 | B | 382.0 | 352.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 2zoq | Homo sapiens | CMGC_MAPK3_HUMAN | CMGC | 3.2e-87 | 298.5 | 1.0 | 301.0 | 301.0 | 183 | 184 | 185 | 187 | 189 | 71 | 88 | 92 | 163 | 165 | 164 | 166.0 | 227 | 214 | 209 | 208 | 207 | 206 | 205 | 204 | 203 | 123 | Mitogen-activated protein kinase 3 |
| 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 |
|---|