| 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 | 9HUKA | P49841 | 25 | 385 | 420.0 | A1IXL:501 | Type1 | Inactive | DFGin | 7.0533 | 14.0777 | BLAminus | -135.25, -177.02 | 57.0, 94.14 | -110.6, 20.82 | 285.12, 72.82 | -66.1, -13.46 | in-out | in | 8.1101 | Saltbr-out | 3.6586 | HRD-in | -70.91, -39.46 | 63.28, 18.66 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1574 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -82.9, 179.26 | APE9-dihe-na | 68.03, 135.17 | APE8-dihe-in | -69.47, 168.34 | APE8-rot-in | 295.64 | APE67-dihe-inflip | 67.51, -44.25 | -66.67, 175.58 | APE12-dist-in | 13.1194 | APE11-dist-in | 10.9456 | APE10-dist-in | 5.924 | APE9-dist-in | 3.2016 | None | None | None | XRAY | 3.5 | 0.219 | 0.25 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9huk | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9HUKB | P49841 | 26 | 382 | 420.0 | A1IXL:501 | Type1 | Active | DFGin | 7.4628 | 14.0621 | BLAminus | -139.0, -179.94 | 58.73, 94.97 | -114.49, 25.32 | 285.15, 69.98 | -63.61, -20.61 | in-in | in | 8.1298 | Saltbr-in | 3.2803 | HRD-in | -69.2, -40.72 | 63.39, 20.78 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0415 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.58, -178.87 | APE9-dihe-na | 67.27, 135.83 | APE8-dihe-in | -80.15, 163.62 | APE8-rot-in | 319.54 | APE67-dihe-inflip | 75.84, -27.97 | -60.6, 162.6 | APE12-dist-in | 12.8383 | APE11-dist-in | 10.7437 | APE10-dist-in | 5.7296 | APE9-dist-in | 3.2115 | None | None | None | XRAY | 3.5 | 0.219 | 0.25 | B | 442.0 | 357.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9huk | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9HUKA | P49841 | 25 | 385 | 420.0 | A1IXL:501 | Type1 | Inactive | DFGin | 7.0533 | 14.0777 | BLAminus | -135.25, -177.02 | 57.0, 94.14 | -110.6, 20.82 | 285.12, 72.82 | -66.1, -13.46 | in-out | in | 8.1101 | Saltbr-out | 3.6586 | HRD-in | -70.91, -39.46 | 63.28, 18.66 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.1574 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -82.9, 179.26 | APE9-dihe-na | 68.03, 135.17 | APE8-dihe-in | -69.47, 168.34 | APE8-rot-in | 295.64 | APE67-dihe-inflip | 67.51, -44.25 | -66.67, 175.58 | APE12-dist-in | 13.1194 | APE11-dist-in | 10.9456 | APE10-dist-in | 5.924 | APE9-dist-in | 3.2016 | None | None | None | XRAY | 3.5 | 0.219 | 0.25 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9huk | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9HUKB | P49841 | 26 | 382 | 420.0 | A1IXL:501 | Type1 | Active | DFGin | 7.4628 | 14.0621 | BLAminus | -139.0, -179.94 | 58.73, 94.97 | -114.49, 25.32 | 285.15, 69.98 | -63.61, -20.61 | in-in | in | 8.1298 | Saltbr-in | 3.2803 | HRD-in | -69.2, -40.72 | 63.39, 20.78 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0415 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.58, -178.87 | APE9-dihe-na | 67.27, 135.83 | APE8-dihe-in | -80.15, 163.62 | APE8-rot-in | 319.54 | APE67-dihe-inflip | 75.84, -27.97 | -60.6, 162.6 | APE12-dist-in | 12.8383 | APE11-dist-in | 10.7437 | APE10-dist-in | 5.7296 | APE9-dist-in | 3.2115 | None | None | None | XRAY | 3.5 | 0.219 | 0.25 | B | 442.0 | 357.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9huk | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 |
|---|