| 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 | 1Q3DA | P49841 | 35 | 385 | 420.0 | STU:451 | Type1 | Active | DFGin | 7.2063 | 14.4113 | BLAminus | -139.48, 178.33 | 63.94, 87.17 | -99.43, 23.77 | 282.58, 69.4 | -66.25, -14.58 | in-in | in | 8.701 | Saltbr-in | 2.8552 | HRD-in | -65.74, -44.7 | 66.01, 11.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0363 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -94.53, 169.72 | APE9-dihe-na | 81.56, 143.56 | APE8-dihe-in | -91.54, 154.32 | APE8-rot-in | 294.67 | APE67-dihe-inflip | 96.36, -28.56 | -51.12, 132.48 | APE12-dist-in | 13.0736 | APE11-dist-in | 11.1082 | APE10-dist-in | 6.0869 | APE9-dist-in | 3.274 | None | None | None | XRAY | 2.2 | 0.23 | 0.252 | A | 424.0 | 339.0 | 12 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q3d | 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 | 1Q3DB | P49841 | 35 | 383 | 420.0 | STU:452 | Type1 | Active | DFGin | 7.26 | 14.4195 | BLAminus | -137.95, 177.39 | 64.41, 87.07 | -97.99, 22.53 | 282.7, 70.11 | -63.96, -17.29 | in-in | in | 8.7081 | Saltbr-in | 2.9721 | HRD-in | -67.72, -45.35 | 66.86, 12.1 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0238 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -93.75, 170.28 | APE9-dihe-na | 79.08, 144.81 | APE8-dihe-in | -89.94, 151.95 | APE8-rot-in | 299.26 | APE67-dihe-inflip | 101.61, -31.22 | -54.51, 132.99 | APE12-dist-in | 13.0847 | APE11-dist-in | 11.0881 | APE10-dist-in | 6.1457 | APE9-dist-in | 3.2379 | None | None | None | XRAY | 2.2 | 0.23 | 0.252 | B | 424.0 | 339.0 | 10 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q3d | 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 | 1Q3DA | P49841 | 35 | 385 | 420.0 | STU:451 | Type1 | Active | DFGin | 7.2063 | 14.4113 | BLAminus | -139.48, 178.33 | 63.94, 87.17 | -99.43, 23.77 | 282.58, 69.4 | -66.25, -14.58 | in-in | in | 8.701 | Saltbr-in | 2.8552 | HRD-in | -65.74, -44.7 | 66.01, 11.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0363 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -94.53, 169.72 | APE9-dihe-na | 81.56, 143.56 | APE8-dihe-in | -91.54, 154.32 | APE8-rot-in | 294.67 | APE67-dihe-inflip | 96.36, -28.56 | -51.12, 132.48 | APE12-dist-in | 13.0736 | APE11-dist-in | 11.1082 | APE10-dist-in | 6.0869 | APE9-dist-in | 3.274 | None | None | None | XRAY | 2.2 | 0.23 | 0.252 | A | 424.0 | 339.0 | 12 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q3d | 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 | 1Q3DB | P49841 | 35 | 383 | 420.0 | STU:452 | Type1 | Active | DFGin | 7.26 | 14.4195 | BLAminus | -137.95, 177.39 | 64.41, 87.07 | -97.99, 22.53 | 282.7, 70.11 | -63.96, -17.29 | in-in | in | 8.7081 | Saltbr-in | 2.9721 | HRD-in | -67.72, -45.35 | 66.86, 12.1 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0238 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -93.75, 170.28 | APE9-dihe-na | 79.08, 144.81 | APE8-dihe-in | -89.94, 151.95 | APE8-rot-in | 299.26 | APE67-dihe-inflip | 101.61, -31.22 | -54.51, 132.99 | APE12-dist-in | 13.0847 | APE11-dist-in | 11.0881 | APE10-dist-in | 6.1457 | APE9-dist-in | 3.2379 | None | None | None | XRAY | 2.2 | 0.23 | 0.252 | B | 424.0 | 339.0 | 10 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q3d | 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 |
|---|