| 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 | 3SD0A | P49841 | 35 | 384 | 420.0 | TSK:400 | Type1 | Inactive | DFGin | 6.8934 | 13.6777 | BLAminus | -139.29, -172.59 | 62.67, 82.92 | -94.93, 18.52 | 283.9, 73.87 | -68.11, -17.74 | in-in | in | 8.4187 | Saltbr-in | 2.8235 | HRD-in | -68.02, -47.17 | 76.6, 11.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7996 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -82.28, 176.65 | APE9-dihe-na | 71.42, 130.7 | APE8-dihe-in | -100.53, 166.25 | APE8-rot-out | 29.1 | APE67-dihe-inflip | 91.12, -25.82 | -31.67, 128.67 | APE12-dist-in | 12.9104 | APE11-dist-in | 10.8103 | APE10-dist-in | 5.7793 | APE9-dist-in | 3.0415 | None | None | None | XRAY | 2.7 | 0.179 | 0.254 | A | 350.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3sd0 | 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 | 3SD0B | P49841 | 35 | 383 | 420.0 | TSK:400 | Type1 | Active | DFGin | 7.1882 | 14.0242 | BLAminus | -142.24, -171.3 | 46.91, 83.25 | -91.85, 32.36 | 285.89, 73.19 | -82.63, -8.9 | in-in | in | 8.2345 | Saltbr-in | 2.887 | HRD-in | -76.13, -44.58 | 70.79, 3.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8942 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -82.6, 179.93 | APE9-dihe-na | 74.21, 152.1 | APE8-dihe-in | -107.68, 155.88 | APE8-rot-in | 296.61 | APE67-dihe-in | -78.55, -3.01 | -13.04, -81.61 | APE12-dist-in | 13.0175 | APE11-dist-in | 11.0989 | APE10-dist-in | 6.1509 | APE9-dist-in | 3.1559 | None | None | None | XRAY | 2.7 | 0.179 | 0.254 | B | 350.0 | 349.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3sd0 | 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 | 3SD0A | P49841 | 35 | 384 | 420.0 | TSK:400 | Type1 | Inactive | DFGin | 6.8934 | 13.6777 | BLAminus | -139.29, -172.59 | 62.67, 82.92 | -94.93, 18.52 | 283.9, 73.87 | -68.11, -17.74 | in-in | in | 8.4187 | Saltbr-in | 2.8235 | HRD-in | -68.02, -47.17 | 76.6, 11.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7996 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -82.28, 176.65 | APE9-dihe-na | 71.42, 130.7 | APE8-dihe-in | -100.53, 166.25 | APE8-rot-out | 29.1 | APE67-dihe-inflip | 91.12, -25.82 | -31.67, 128.67 | APE12-dist-in | 12.9104 | APE11-dist-in | 10.8103 | APE10-dist-in | 5.7793 | APE9-dist-in | 3.0415 | None | None | None | XRAY | 2.7 | 0.179 | 0.254 | A | 350.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3sd0 | 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 | 3SD0B | P49841 | 35 | 383 | 420.0 | TSK:400 | Type1 | Active | DFGin | 7.1882 | 14.0242 | BLAminus | -142.24, -171.3 | 46.91, 83.25 | -91.85, 32.36 | 285.89, 73.19 | -82.63, -8.9 | in-in | in | 8.2345 | Saltbr-in | 2.887 | HRD-in | -76.13, -44.58 | 70.79, 3.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8942 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -82.6, 179.93 | APE9-dihe-na | 74.21, 152.1 | APE8-dihe-in | -107.68, 155.88 | APE8-rot-in | 296.61 | APE67-dihe-in | -78.55, -3.01 | -13.04, -81.61 | APE12-dist-in | 13.0175 | APE11-dist-in | 11.0989 | APE10-dist-in | 6.1509 | APE9-dist-in | 3.1559 | None | None | None | XRAY | 2.7 | 0.179 | 0.254 | B | 350.0 | 349.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3sd0 | 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 |
|---|