| 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 | 1Q41A | P49841 | 35 | 386 | 420.0 | IXM:451 | Type1 | Active | DFGin | 7.0961 | 13.7419 | BLAminus | -140.31, 177.95 | 63.36, 85.31 | -97.68, 24.93 | 285.2, 72.61 | -64.62, -16.75 | in-in | in | 8.1819 | Saltbr-in | 2.8445 | HRD-in | -70.03, -43.74 | 69.02, 2.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0075 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -90.85, 173.09 | APE9-dihe-na | 80.34, 135.13 | APE8-dihe-in | -75.55, 139.31 | APE8-rot-in | 298.19 | APE67-dihe-in | -65.33, -18.78 | -13.64, -78.26 | APE12-dist-in | 13.068 | APE11-dist-in | 11.0572 | APE10-dist-in | 5.9147 | APE9-dist-in | 3.2247 | None | None | None | XRAY | 2.1 | 0.229 | 0.245 | A | 424.0 | 339.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q41 | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 1Q41B | P49841 | 35 | 383 | 420.0 | IXM:452 | Type1 | Active | DFGin | 7.0941 | 13.8936 | BLAminus | -139.75, 177.7 | 62.59, 85.88 | -97.92, 24.85 | 285.3, 70.28 | -63.82, -17.54 | in-in | in | 8.3883 | Saltbr-in | 2.83 | HRD-in | -70.82, -46.38 | 71.27, 6.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0071 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.0, 171.76 | APE9-dihe-na | 82.35, 130.54 | APE8-dihe-in | -71.97, 140.37 | APE8-rot-in | 298.15 | APE67-dihe-in | -64.0, -13.46 | -11.43, -84.5 | APE12-dist-in | 13.0562 | APE11-dist-in | 11.0548 | APE10-dist-in | 5.884 | APE9-dist-in | 3.2357 | None | None | None | XRAY | 2.1 | 0.229 | 0.245 | B | 424.0 | 343.0 | 6 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q41 | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 1Q41A | P49841 | 35 | 386 | 420.0 | IXM:451 | Type1 | Active | DFGin | 7.0961 | 13.7419 | BLAminus | -140.31, 177.95 | 63.36, 85.31 | -97.68, 24.93 | 285.2, 72.61 | -64.62, -16.75 | in-in | in | 8.1819 | Saltbr-in | 2.8445 | HRD-in | -70.03, -43.74 | 69.02, 2.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0075 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -90.85, 173.09 | APE9-dihe-na | 80.34, 135.13 | APE8-dihe-in | -75.55, 139.31 | APE8-rot-in | 298.19 | APE67-dihe-in | -65.33, -18.78 | -13.64, -78.26 | APE12-dist-in | 13.068 | APE11-dist-in | 11.0572 | APE10-dist-in | 5.9147 | APE9-dist-in | 3.2247 | None | None | None | XRAY | 2.1 | 0.229 | 0.245 | A | 424.0 | 339.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q41 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 1Q41B | P49841 | 35 | 383 | 420.0 | IXM:452 | Type1 | Active | DFGin | 7.0941 | 13.8936 | BLAminus | -139.75, 177.7 | 62.59, 85.88 | -97.92, 24.85 | 285.3, 70.28 | -63.82, -17.54 | in-in | in | 8.3883 | Saltbr-in | 2.83 | HRD-in | -70.82, -46.38 | 71.27, 6.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0071 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.0, 171.76 | APE9-dihe-na | 82.35, 130.54 | APE8-dihe-in | -71.97, 140.37 | APE8-rot-in | 298.15 | APE67-dihe-in | -64.0, -13.46 | -11.43, -84.5 | APE12-dist-in | 13.0562 | APE11-dist-in | 11.0548 | APE10-dist-in | 5.884 | APE9-dist-in | 3.2357 | None | None | None | XRAY | 2.1 | 0.229 | 0.245 | B | 424.0 | 343.0 | 6 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q41 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 |
|---|