| 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 | GSK3B | GSK3B_HUMAN | AF-P49841-K1A | P49841 | 48 | 348 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.7843 | 14.0695 | BLAminus | -132.22, 178.4 | 62.95, 68.76 | -81.18, 15.79 | 285.47, 79.99 | -60.59, -34.48 | in-in | in | 8.4747 | Saltbr-in | 2.7102 | HRD-in | -72.93, -43.95 | 66.08, 11.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8921 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.31, 173.16 | APE9-dihe-na | 65.7, 144.93 | APE8-dihe-in | -63.41, 136.54 | APE8-rot-in | 298.96 | APE67-dihe-in | -66.32, -15.33 | -50.7, -49.59 | APE12-dist-in | 13.4502 | APE11-dist-in | 11.9889 | APE10-dist-in | 6.9958 | APE9-dist-in | 3.1274 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | AF-P49841-K1 | CMGC_GSK3B_HUMAN | CMGC | 1e-70 | 244.5 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| CMGC | GSK3B | GSK3B_HUMAN | AF-P49841-K3A | P49841 | 48 | 348 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.5244 | 13.8836 | BLAminus | -137.65, -179.24 | 64.43, 60.31 | -74.11, 11.79 | 288.76, 87.67 | -59.53, -33.87 | in-in | in | 8.2321 | Saltbr-in | 2.6752 | HRD-in | -76.11, -42.33 | 64.92, 19.4 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.909 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.17, -179.86 | APE9-dihe-na | 61.35, 145.02 | APE8-dihe-in | -62.21, 135.58 | APE8-rot-in | 295.17 | APE67-dihe-in | -63.79, -15.52 | -52.47, -50.54 | APE12-dist-in | 13.4857 | APE11-dist-in | 11.9949 | APE10-dist-in | 7.0698 | APE9-dist-in | 3.244 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | AF-P49841-K3 | CMGC_GSK3B_HUMAN | CMGC | 1e-70 | 244.5 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| 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 | GSK3B | GSK3B_HUMAN | AF-P49841-K1A | P49841 | 48 | 348 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.7843 | 14.0695 | BLAminus | -132.22, 178.4 | 62.95, 68.76 | -81.18, 15.79 | 285.47, 79.99 | -60.59, -34.48 | in-in | in | 8.4747 | Saltbr-in | 2.7102 | HRD-in | -72.93, -43.95 | 66.08, 11.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8921 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.31, 173.16 | APE9-dihe-na | 65.7, 144.93 | APE8-dihe-in | -63.41, 136.54 | APE8-rot-in | 298.96 | APE67-dihe-in | -66.32, -15.33 | -50.7, -49.59 | APE12-dist-in | 13.4502 | APE11-dist-in | 11.9889 | APE10-dist-in | 6.9958 | APE9-dist-in | 3.1274 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | AF-P49841-K1 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1e-70 | 244.5 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| CMGC | GSK3B | GSK3B_HUMAN | AF-P49841-K3A | P49841 | 48 | 348 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.5244 | 13.8836 | BLAminus | -137.65, -179.24 | 64.43, 60.31 | -74.11, 11.79 | 288.76, 87.67 | -59.53, -33.87 | in-in | in | 8.2321 | Saltbr-in | 2.6752 | HRD-in | -76.11, -42.33 | 64.92, 19.4 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.909 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.17, -179.86 | APE9-dihe-na | 61.35, 145.02 | APE8-dihe-in | -62.21, 135.58 | APE8-rot-in | 295.17 | APE67-dihe-in | -63.79, -15.52 | -52.47, -50.54 | APE12-dist-in | 13.4857 | APE11-dist-in | 11.9949 | APE10-dist-in | 7.0698 | APE9-dist-in | 3.244 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | AF-P49841-K3 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1e-70 | 244.5 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| 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 |
|---|