| 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 | 7U2ZA | P49841 | 35 | 382 | 420.0 | L7C:401 | Type1 | Active | DFGin | 7.0437 | 14.3283 | BLAminus | -133.1, 179.76 | 62.32, 79.84 | -96.99, 23.84 | 285.42, 79.62 | -65.82, -25.41 | in-in | in | 8.5578 | Saltbr-in | 2.7638 | HRD-in | -73.49, -48.13 | 70.69, 16.81 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9072 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.38, 169.05 | APE9-dihe-na | 81.0, 139.13 | APE8-dihe-in | -79.34, 150.41 | APE8-rot-in | 288.38 | APE67-dihe-inflip | 98.4, -32.71 | -58.44, 134.12 | APE12-dist-in | 13.1383 | APE11-dist-in | 11.05 | APE10-dist-in | 5.8885 | APE9-dist-in | 3.0925 | None | None | None | XRAY | 2.21 | 0.248 | 0.266 | A | 348.0 | 345.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u2z | 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 | 7U2ZB | P49841 | 35 | 382 | 420.0 | L7C:401 | Type1 | Active | DFGin | 7.0832 | 14.3162 | BLAminus | -133.0, 179.81 | 61.72, 80.12 | -97.27, 23.94 | 285.32, 79.23 | -65.78, -25.41 | in-in | in | 8.5159 | Saltbr-in | 2.7654 | HRD-in | -73.41, -48.27 | 70.6, 17.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9123 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.19, 168.84 | APE9-dihe-na | 80.53, 139.96 | APE8-dihe-in | -79.72, 154.04 | APE8-rot-in | 288.98 | APE67-dihe-in | -82.66, -15.29 | -42.95, -55.79 | APE12-dist-in | 13.132 | APE11-dist-in | 11.0815 | APE10-dist-in | 5.8924 | APE9-dist-in | 3.0994 | None | None | None | XRAY | 2.21 | 0.248 | 0.266 | B | 348.0 | 348.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u2z | 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 | 7U2ZA | P49841 | 35 | 382 | 420.0 | L7C:401 | Type1 | Active | DFGin | 7.0437 | 14.3283 | BLAminus | -133.1, 179.76 | 62.32, 79.84 | -96.99, 23.84 | 285.42, 79.62 | -65.82, -25.41 | in-in | in | 8.5578 | Saltbr-in | 2.7638 | HRD-in | -73.49, -48.13 | 70.69, 16.81 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9072 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.38, 169.05 | APE9-dihe-na | 81.0, 139.13 | APE8-dihe-in | -79.34, 150.41 | APE8-rot-in | 288.38 | APE67-dihe-inflip | 98.4, -32.71 | -58.44, 134.12 | APE12-dist-in | 13.1383 | APE11-dist-in | 11.05 | APE10-dist-in | 5.8885 | APE9-dist-in | 3.0925 | None | None | None | XRAY | 2.21 | 0.248 | 0.266 | A | 348.0 | 345.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u2z | 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 | 7U2ZB | P49841 | 35 | 382 | 420.0 | L7C:401 | Type1 | Active | DFGin | 7.0832 | 14.3162 | BLAminus | -133.0, 179.81 | 61.72, 80.12 | -97.27, 23.94 | 285.32, 79.23 | -65.78, -25.41 | in-in | in | 8.5159 | Saltbr-in | 2.7654 | HRD-in | -73.41, -48.27 | 70.6, 17.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9123 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.19, 168.84 | APE9-dihe-na | 80.53, 139.96 | APE8-dihe-in | -79.72, 154.04 | APE8-rot-in | 288.98 | APE67-dihe-in | -82.66, -15.29 | -42.95, -55.79 | APE12-dist-in | 13.132 | APE11-dist-in | 11.0815 | APE10-dist-in | 5.8924 | APE9-dist-in | 3.0994 | None | None | None | XRAY | 2.21 | 0.248 | 0.266 | B | 348.0 | 348.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u2z | 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 |
|---|