| 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 | 8DJDA | P49841 | 36 | 383 | 420.0 | U3E:501 | Type1 | Active | DFGin | 7.1826 | 13.8782 | BLAminus | -134.36, -179.72 | 59.88, 85.28 | -97.18, 26.66 | 285.76, 75.79 | -65.91, -27.91 | in-in | in | 8.3565 | Saltbr-in | 2.7038 | HRD-in | -66.89, -45.93 | 70.71, 8.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9738 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -97.03, 169.31 | APE9-dihe-na | 77.5, 142.18 | APE8-dihe-in | -93.09, 155.03 | APE8-rot-in | 301.61 | APE67-dihe-inflip | 94.8, -31.52 | -52.67, 137.81 | APE12-dist-in | 13.0595 | APE11-dist-in | 11.0394 | APE10-dist-in | 6.1287 | APE9-dist-in | 3.198 | None | None | None | XRAY | 2.205 | 0.209 | 0.222 | A | 441.0 | 338.0 | 10 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djd | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 | 8DJDB | P49841 | 36 | 384 | 420.0 | U3E:501 | Type1 | Active | DFGin | 7.129 | 13.9195 | BLAminus | -133.17, 179.77 | 59.91, 85.17 | -97.09, 26.57 | 285.62, 75.36 | -66.56, -27.45 | in-in | in | 8.3472 | Saltbr-in | 2.6969 | HRD-in | -66.65, -46.07 | 70.85, 8.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9199 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -94.46, 170.54 | APE9-dihe-na | 79.57, 140.07 | APE8-dihe-in | -94.46, 154.56 | APE8-rot-in | 301.16 | APE67-dihe-inflip | 94.52, -31.07 | -52.58, 138.22 | APE12-dist-in | 13.0861 | APE11-dist-in | 11.08 | APE10-dist-in | 6.0775 | APE9-dist-in | 3.2169 | None | None | None | XRAY | 2.205 | 0.209 | 0.222 | B | 441.0 | 341.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djd | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 | 8DJDA | P49841 | 36 | 383 | 420.0 | U3E:501 | Type1 | Active | DFGin | 7.1826 | 13.8782 | BLAminus | -134.36, -179.72 | 59.88, 85.28 | -97.18, 26.66 | 285.76, 75.79 | -65.91, -27.91 | in-in | in | 8.3565 | Saltbr-in | 2.7038 | HRD-in | -66.89, -45.93 | 70.71, 8.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9738 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -97.03, 169.31 | APE9-dihe-na | 77.5, 142.18 | APE8-dihe-in | -93.09, 155.03 | APE8-rot-in | 301.61 | APE67-dihe-inflip | 94.8, -31.52 | -52.67, 137.81 | APE12-dist-in | 13.0595 | APE11-dist-in | 11.0394 | APE10-dist-in | 6.1287 | APE9-dist-in | 3.198 | None | None | None | XRAY | 2.205 | 0.209 | 0.222 | A | 441.0 | 338.0 | 10 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djd | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 | 8DJDB | P49841 | 36 | 384 | 420.0 | U3E:501 | Type1 | Active | DFGin | 7.129 | 13.9195 | BLAminus | -133.17, 179.77 | 59.91, 85.17 | -97.09, 26.57 | 285.62, 75.36 | -66.56, -27.45 | in-in | in | 8.3472 | Saltbr-in | 2.6969 | HRD-in | -66.65, -46.07 | 70.85, 8.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9199 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -94.46, 170.54 | APE9-dihe-na | 79.57, 140.07 | APE8-dihe-in | -94.46, 154.56 | APE8-rot-in | 301.16 | APE67-dihe-inflip | 94.52, -31.07 | -52.58, 138.22 | APE12-dist-in | 13.0861 | APE11-dist-in | 11.08 | APE10-dist-in | 6.0775 | APE9-dist-in | 3.2169 | None | None | None | XRAY | 2.205 | 0.209 | 0.222 | B | 441.0 | 341.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djd | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 |
|---|