| 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 | 4QTBA | P27361 | 24 | 374 | 379.0 | 38Z:418 | Type1.5_Front | Inactive | DFGin | 6.9632 | 16.1915 | BLAminus | -128.63, 172.06 | 72.12, 87.31 | -104.64, 23.58 | 286.23, 74.76 | -64.07, -28.14 | in-in | in | 9.6383 | Saltbr-in | 2.6538 | HRD-in | -72.11, -54.76 | 73.09, 8.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7675 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -93.95, -29.12 | APE9-dihe-na | -67.78, 160.1 | APE8-dihe-in | -53.91, 125.98 | APE8-rot-in | 310.28 | APE67-dihe-in | -65.26, -17.27 | -52.54, -50.1 | APE12-dist-out | 14.1554 | APE11-dist-in | 10.8041 | APE10-dist-in | 6.8428 | APE9-dist-in | 4.4119 | None | None | None | XRAY | 1.4 | 0.148 | 0.175 | A | 380.0 | 351.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 4qtb | 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 | 4QTBB | P27361 | 27 | 374 | 379.0 | 38Z:412 | Type1.5_Front | Inactive | DFGin | 6.9886 | 16.0949 | BLAminus | -131.38, 169.9 | 76.01, 86.99 | -105.18, 21.27 | 288.36, 77.86 | -59.51, -32.2 | in-in | in | 9.5939 | Saltbr-in | 2.7088 | HRD-in | -72.51, -53.5 | 77.51, 5.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8241 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -90.9, -27.9 | APE9-dihe-na | -67.55, 157.04 | APE8-dihe-in | -54.84, 126.95 | APE8-rot-in | 308.82 | APE67-dihe-in | -67.72, -16.58 | -53.94, -47.75 | APE12-dist-out | 14.1875 | APE11-dist-in | 10.8583 | APE10-dist-in | 7.0815 | APE9-dist-in | 4.4109 | None | None | None | XRAY | 1.4 | 0.148 | 0.175 | B | 380.0 | 348.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 4qtb | 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 | 4QTBA | P27361 | 24 | 374 | 379.0 | 38Z:418 | Type1.5_Front | Inactive | DFGin | 6.9632 | 16.1915 | BLAminus | -128.63, 172.06 | 72.12, 87.31 | -104.64, 23.58 | 286.23, 74.76 | -64.07, -28.14 | in-in | in | 9.6383 | Saltbr-in | 2.6538 | HRD-in | -72.11, -54.76 | 73.09, 8.34 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7675 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -93.95, -29.12 | APE9-dihe-na | -67.78, 160.1 | APE8-dihe-in | -53.91, 125.98 | APE8-rot-in | 310.28 | APE67-dihe-in | -65.26, -17.27 | -52.54, -50.1 | APE12-dist-out | 14.1554 | APE11-dist-in | 10.8041 | APE10-dist-in | 6.8428 | APE9-dist-in | 4.4119 | None | None | None | XRAY | 1.4 | 0.148 | 0.175 | A | 380.0 | 351.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 4qtb | 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 | 4QTBB | P27361 | 27 | 374 | 379.0 | 38Z:412 | Type1.5_Front | Inactive | DFGin | 6.9886 | 16.0949 | BLAminus | -131.38, 169.9 | 76.01, 86.99 | -105.18, 21.27 | 288.36, 77.86 | -59.51, -32.2 | in-in | in | 9.5939 | Saltbr-in | 2.7088 | HRD-in | -72.51, -53.5 | 77.51, 5.81 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8241 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -90.9, -27.9 | APE9-dihe-na | -67.55, 157.04 | APE8-dihe-in | -54.84, 126.95 | APE8-rot-in | 308.82 | APE67-dihe-in | -67.72, -16.58 | -53.94, -47.75 | APE12-dist-out | 14.1875 | APE11-dist-in | 10.8583 | APE10-dist-in | 7.0815 | APE9-dist-in | 4.4109 | None | None | None | XRAY | 1.4 | 0.148 | 0.175 | B | 380.0 | 348.0 | 0 | 31 | 31 | 0 | [[42, 330]] | 1.0 | 4qtb | 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 |
|---|