| 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 | 4ACCA | P49841 | 35 | 385 | 420.0 | 7YG:1387 | Type1 | Active | DFGin | 7.1831 | 13.5808 | BLAminus | -136.28, 179.66 | 61.59, 88.25 | -100.04, 20.56 | 281.3, 79.98 | -65.9, -21.03 | in-in | in | 8.3469 | Saltbr-in | 2.7616 | HRD-in | -66.74, -44.81 | 68.93, 1.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8975 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.14, 170.6 | APE9-dihe-na | 77.6, 138.09 | APE8-dihe-in | -85.62, 145.43 | APE8-rot-in | 296.7 | APE67-dihe-inflip | 94.96, -30.16 | -47.88, 136.19 | APE12-dist-in | 13.0341 | APE11-dist-in | 10.957 | APE10-dist-in | 5.8889 | APE9-dist-in | 3.171 | None | None | None | XRAY | 2.21 | 0.191 | 0.219 | A | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acc | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 | 4ACCB | P49841 | 35 | 385 | 420.0 | 7YG:1386 | Type1 | Active | DFGin | 7.2279 | 13.5244 | BLAminus | -136.66, 179.59 | 61.79, 88.29 | -99.73, 21.22 | 281.91, 80.18 | -66.08, -22.29 | in-in | in | 8.2447 | Saltbr-in | 2.8714 | HRD-in | -66.61, -45.06 | 69.24, 1.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8922 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.27, 172.02 | APE9-dihe-na | 75.79, 137.96 | APE8-dihe-in | -86.62, 146.41 | APE8-rot-in | 295.61 | APE67-dihe-inflip | 93.46, -30.62 | -49.23, 136.97 | APE12-dist-in | 13.056 | APE11-dist-in | 11.009 | APE10-dist-in | 5.9124 | APE9-dist-in | 3.1824 | None | None | None | XRAY | 2.21 | 0.191 | 0.219 | B | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acc | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 | 4ACCA | P49841 | 35 | 385 | 420.0 | 7YG:1387 | Type1 | Active | DFGin | 7.1831 | 13.5808 | BLAminus | -136.28, 179.66 | 61.59, 88.25 | -100.04, 20.56 | 281.3, 79.98 | -65.9, -21.03 | in-in | in | 8.3469 | Saltbr-in | 2.7616 | HRD-in | -66.74, -44.81 | 68.93, 1.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8975 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.14, 170.6 | APE9-dihe-na | 77.6, 138.09 | APE8-dihe-in | -85.62, 145.43 | APE8-rot-in | 296.7 | APE67-dihe-inflip | 94.96, -30.16 | -47.88, 136.19 | APE12-dist-in | 13.0341 | APE11-dist-in | 10.957 | APE10-dist-in | 5.8889 | APE9-dist-in | 3.171 | None | None | None | XRAY | 2.21 | 0.191 | 0.219 | A | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acc | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 | 4ACCB | P49841 | 35 | 385 | 420.0 | 7YG:1386 | Type1 | Active | DFGin | 7.2279 | 13.5244 | BLAminus | -136.66, 179.59 | 61.79, 88.29 | -99.73, 21.22 | 281.91, 80.18 | -66.08, -22.29 | in-in | in | 8.2447 | Saltbr-in | 2.8714 | HRD-in | -66.61, -45.06 | 69.24, 1.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8922 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -79.27, 172.02 | APE9-dihe-na | 75.79, 137.96 | APE8-dihe-in | -86.62, 146.41 | APE8-rot-in | 295.61 | APE67-dihe-inflip | 93.46, -30.62 | -49.23, 136.97 | APE12-dist-in | 13.056 | APE11-dist-in | 11.009 | APE10-dist-in | 5.9124 | APE9-dist-in | 3.1824 | None | None | None | XRAY | 2.21 | 0.191 | 0.219 | B | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acc | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 |
|---|