| 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 | 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 |
|---|
| 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_MOUSE | 6AE3C | Q9WV60 | 37 | 383 | 420.0 | No_ligand | No_ligand | Inactive | DFGin | 7.0852 | 14.2465 | BLAminus | -138.84, 177.7 | 70.47, 68.34 | -81.63, 23.64 | 278.71, 79.84 | -68.29, -26.67 | in-in | in | 8.5431 | Saltbr-in | 3.0998 | HRD-in | -63.75, -49.26 | 68.09, 4.78 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9308 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -131.25, -51.04 | APE9-dihe-na | -75.73, 169.64 | APE8-dihe-in | -64.7, 134.47 | APE8-rot-out | 205.91 | APE67-dihe-in | -59.9, -28.79 | -47.43, -50.42 | APE12-dist-in | 13.3567 | APE11-dist-in | 11.8202 | APE10-dist-in | 6.6175 | APE9-dist-in | 3.4159 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | C | 420.0 | 332.0 | 14 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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_MOUSE | 6AE3D | Q9WV60 | 36 | 382 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.8462 | 14.3954 | BLAminus | -141.83, -176.77 | 60.2, 77.49 | -89.39, 22.71 | 281.69, 81.03 | -67.16, -17.62 | in-in | in | 8.5972 | Saltbr-in | 2.9198 | HRD-in | -66.38, -49.02 | 71.39, 7.08 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0257 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.65, -50.64 | APE9-dihe-na | -86.99, 177.5 | APE8-dihe-in | -52.77, 135.95 | APE8-rot-in | 241.34 | APE67-dihe-in | -60.13, -26.01 | -56.25, -47.64 | APE12-dist-in | 13.5374 | APE11-dist-in | 11.7665 | APE10-dist-in | 7.2779 | APE9-dist-in | 3.256 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | D | 420.0 | 333.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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_MOUSE | 6AE3A | Q9WV60 | 36 | 387 | 420.0 | MRI:501 | Type1 | Inactive | DFGin | 6.8942 | 14.102 | BLAminus | -136.0, 177.47 | 66.33, 76.64 | -88.44, 20.33 | 285.85, 84.43 | -66.44, -23.98 | in-in | in | 8.8767 | Saltbr-in | 2.9541 | HRD-in | -71.52, -49.56 | 71.35, 12.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.032 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -136.99, -47.87 | APE9-dihe-na | -84.23, -172.24 | APE8-dihe-in | -75.59, 135.74 | APE8-rot-out | 167.98 | APE67-dihe-in | -65.02, -21.79 | -52.52, -47.78 | APE12-dist-in | 13.6917 | APE11-dist-in | 12.0236 | APE10-dist-in | 7.3136 | APE9-dist-in | 3.3344 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | A | 420.0 | 348.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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_MOUSE | 6AE3B | Q9WV60 | 36 | 384 | 420.0 | MRI:501 | Type1 | Inactive | DFGin | 6.7389 | 14.0903 | BLAminus | -133.31, 179.77 | 64.96, 75.18 | -85.96, 22.4 | 281.26, 80.21 | -65.67, -27.09 | in-in | in | 8.9797 | Saltbr-in | 3.0191 | HRD-in | -70.11, -50.99 | 71.74, 15.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9225 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -132.24, -38.47 | APE9-dihe-na | -87.03, 178.23 | APE8-dihe-in | -68.15, 134.76 | APE8-rot-out | 177.54 | APE67-dihe-in | -64.59, -23.54 | -47.57, -47.97 | APE12-dist-in | 13.6259 | APE11-dist-in | 11.9079 | APE10-dist-in | 6.6939 | APE9-dist-in | 3.4142 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | B | 420.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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_MOUSE | 6AE3C | Q9WV60 | 37 | 383 | 420.0 | No_ligand | No_ligand | Inactive | DFGin | 7.0852 | 14.2465 | BLAminus | -138.84, 177.7 | 70.47, 68.34 | -81.63, 23.64 | 278.71, 79.84 | -68.29, -26.67 | in-in | in | 8.5431 | Saltbr-in | 3.0998 | HRD-in | -63.75, -49.26 | 68.09, 4.78 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9308 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -131.25, -51.04 | APE9-dihe-na | -75.73, 169.64 | APE8-dihe-in | -64.7, 134.47 | APE8-rot-out | 205.91 | APE67-dihe-in | -59.9, -28.79 | -47.43, -50.42 | APE12-dist-in | 13.3567 | APE11-dist-in | 11.8202 | APE10-dist-in | 6.6175 | APE9-dist-in | 3.4159 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | C | 420.0 | 332.0 | 14 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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_MOUSE | 6AE3D | Q9WV60 | 36 | 382 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.8462 | 14.3954 | BLAminus | -141.83, -176.77 | 60.2, 77.49 | -89.39, 22.71 | 281.69, 81.03 | -67.16, -17.62 | in-in | in | 8.5972 | Saltbr-in | 2.9198 | HRD-in | -66.38, -49.02 | 71.39, 7.08 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0257 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.65, -50.64 | APE9-dihe-na | -86.99, 177.5 | APE8-dihe-in | -52.77, 135.95 | APE8-rot-in | 241.34 | APE67-dihe-in | -60.13, -26.01 | -56.25, -47.64 | APE12-dist-in | 13.5374 | APE11-dist-in | 11.7665 | APE10-dist-in | 7.2779 | APE9-dist-in | 3.256 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | D | 420.0 | 333.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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_MOUSE | 6AE3A | Q9WV60 | 36 | 387 | 420.0 | MRI:501 | Type1 | Inactive | DFGin | 6.8942 | 14.102 | BLAminus | -136.0, 177.47 | 66.33, 76.64 | -88.44, 20.33 | 285.85, 84.43 | -66.44, -23.98 | in-in | in | 8.8767 | Saltbr-in | 2.9541 | HRD-in | -71.52, -49.56 | 71.35, 12.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.032 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -136.99, -47.87 | APE9-dihe-na | -84.23, -172.24 | APE8-dihe-in | -75.59, 135.74 | APE8-rot-out | 167.98 | APE67-dihe-in | -65.02, -21.79 | -52.52, -47.78 | APE12-dist-in | 13.6917 | APE11-dist-in | 12.0236 | APE10-dist-in | 7.3136 | APE9-dist-in | 3.3344 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | A | 420.0 | 348.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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_MOUSE | 6AE3B | Q9WV60 | 36 | 384 | 420.0 | MRI:501 | Type1 | Inactive | DFGin | 6.7389 | 14.0903 | BLAminus | -133.31, 179.77 | 64.96, 75.18 | -85.96, 22.4 | 281.26, 80.21 | -65.67, -27.09 | in-in | in | 8.9797 | Saltbr-in | 3.0191 | HRD-in | -70.11, -50.99 | 71.74, 15.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9225 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -132.24, -38.47 | APE9-dihe-na | -87.03, 178.23 | APE8-dihe-in | -68.15, 134.76 | APE8-rot-out | 177.54 | APE67-dihe-in | -64.59, -23.54 | -47.57, -47.97 | APE12-dist-in | 13.6259 | APE11-dist-in | 11.9079 | APE10-dist-in | 6.6939 | APE9-dist-in | 3.4142 | None | PTR216 | PTR216 | XRAY | 2.14 | 0.192 | 0.226 | B | 420.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6ae3 | Mus musculus | CMGC_GSK3B_MOUSE | CMGC | 3.2e-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 |