| 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 | 5F94A | P49841 | 36 | 381 | 420.0 | 3UO:401 | Type1 | Active | DFGin | 6.9408 | 13.7851 | BLAminus | -132.23, -171.99 | 59.12, 80.79 | -95.82, 23.07 | 289.16, 72.98 | -56.52, -34.28 | in-in | in | 8.4861 | Saltbr-in | 2.7108 | HRD-in | -71.8, -46.49 | 68.5, 7.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7841 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -78.99, 174.92 | APE9-dihe-na | 77.27, 148.67 | APE8-dihe-in | -101.45, 151.47 | APE8-rot-in | 289.94 | APE67-dihe-inflip | 89.58, -29.34 | -36.24, 131.42 | APE12-dist-in | 12.915 | APE11-dist-in | 10.9124 | APE10-dist-in | 5.9524 | APE9-dist-in | 3.1086 | None | None | None | XRAY | 2.51 | 0.191 | 0.226 | A | 350.0 | 346.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5f94 | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 5F94B | P49841 | 37 | 385 | 420.0 | 3UO:401 | Type1 | Active | DFGin | 6.9206 | 13.9028 | BLAminus | -131.5, -174.71 | 60.13, 82.54 | -97.18, 23.01 | 287.88, 72.62 | -56.23, -35.38 | in-in | in | 8.3979 | Saltbr-in | 2.8901 | HRD-in | -70.35, -45.36 | 66.02, 7.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8563 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.68, 174.32 | APE9-dihe-na | 79.06, 151.27 | APE8-dihe-in | -105.02, 147.7 | APE8-rot-in | 292.84 | APE67-dihe-inflip | 87.17, -28.31 | -40.05, 137.25 | APE12-dist-in | 12.8868 | APE11-dist-in | 10.9014 | APE10-dist-in | 5.8663 | APE9-dist-in | 3.1931 | None | None | None | XRAY | 2.51 | 0.191 | 0.226 | B | 350.0 | 349.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5f94 | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 5F94A | P49841 | 36 | 381 | 420.0 | 3UO:401 | Type1 | Active | DFGin | 6.9408 | 13.7851 | BLAminus | -132.23, -171.99 | 59.12, 80.79 | -95.82, 23.07 | 289.16, 72.98 | -56.52, -34.28 | in-in | in | 8.4861 | Saltbr-in | 2.7108 | HRD-in | -71.8, -46.49 | 68.5, 7.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7841 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -78.99, 174.92 | APE9-dihe-na | 77.27, 148.67 | APE8-dihe-in | -101.45, 151.47 | APE8-rot-in | 289.94 | APE67-dihe-inflip | 89.58, -29.34 | -36.24, 131.42 | APE12-dist-in | 12.915 | APE11-dist-in | 10.9124 | APE10-dist-in | 5.9524 | APE9-dist-in | 3.1086 | None | None | None | XRAY | 2.51 | 0.191 | 0.226 | A | 350.0 | 346.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5f94 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 5F94B | P49841 | 37 | 385 | 420.0 | 3UO:401 | Type1 | Active | DFGin | 6.9206 | 13.9028 | BLAminus | -131.5, -174.71 | 60.13, 82.54 | -97.18, 23.01 | 287.88, 72.62 | -56.23, -35.38 | in-in | in | 8.3979 | Saltbr-in | 2.8901 | HRD-in | -70.35, -45.36 | 66.02, 7.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8563 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.68, 174.32 | APE9-dihe-na | 79.06, 151.27 | APE8-dihe-in | -105.02, 147.7 | APE8-rot-in | 292.84 | APE67-dihe-inflip | 87.17, -28.31 | -40.05, 137.25 | APE12-dist-in | 12.8868 | APE11-dist-in | 10.9014 | APE10-dist-in | 5.8663 | APE9-dist-in | 3.1931 | None | None | None | XRAY | 2.51 | 0.191 | 0.226 | B | 350.0 | 349.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5f94 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 |
|---|