| 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 | 7U33A | P49841 | 36 | 385 | 420.0 | L7R:402 | Type1 | Active | DFGin | 7.0231 | 14.0492 | BLAminus | -140.49, 178.19 | 60.8, 84.54 | -99.85, 16.49 | 288.62, 77.82 | -50.41, -27.99 | in-in | in | 8.5115 | Saltbr-in | 2.7738 | HRD-in | -71.53, -50.0 | 75.9, 8.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9863 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -91.78, -39.59 | APE9-dihe-na | -85.32, 160.12 | APE8-dihe-in | -84.45, 147.1 | APE8-rot-in | 286.21 | APE67-dihe-inflip | 87.92, -34.06 | -59.31, 147.18 | APE12-dist-in | 13.0363 | APE11-dist-in | 10.9912 | APE10-dist-in | 6.0319 | APE9-dist-in | 3.2624 | None | None | None | XRAY | 2.6 | 0.233 | 0.264 | A | 351.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u33 | 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 | 7U33B | P49841 | 37 | 382 | 420.0 | L7R:402 | Type1 | Active | DFGin | 6.9949 | 14.0924 | BLAminus | -141.31, 178.2 | 60.97, 83.82 | -100.06, 16.34 | 288.93, 78.7 | -51.51, -27.59 | in-in | in | 8.5327 | Saltbr-in | 2.7534 | HRD-in | -72.1, -49.87 | 75.78, 7.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.989 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.62, 168.53 | APE9-dihe-na | 77.45, 140.58 | APE8-dihe-in | -89.54, 146.71 | APE8-rot-in | 285.53 | APE67-dihe-in | -82.12, -10.74 | -0.24, -85.34 | APE12-dist-in | 13.0347 | APE11-dist-in | 10.9604 | APE10-dist-in | 6.0286 | APE9-dist-in | 3.1028 | None | None | None | XRAY | 2.6 | 0.233 | 0.264 | B | 351.0 | 346.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u33 | 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 | 7U33A | P49841 | 36 | 385 | 420.0 | L7R:402 | Type1 | Active | DFGin | 7.0231 | 14.0492 | BLAminus | -140.49, 178.19 | 60.8, 84.54 | -99.85, 16.49 | 288.62, 77.82 | -50.41, -27.99 | in-in | in | 8.5115 | Saltbr-in | 2.7738 | HRD-in | -71.53, -50.0 | 75.9, 8.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9863 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -91.78, -39.59 | APE9-dihe-na | -85.32, 160.12 | APE8-dihe-in | -84.45, 147.1 | APE8-rot-in | 286.21 | APE67-dihe-inflip | 87.92, -34.06 | -59.31, 147.18 | APE12-dist-in | 13.0363 | APE11-dist-in | 10.9912 | APE10-dist-in | 6.0319 | APE9-dist-in | 3.2624 | None | None | None | XRAY | 2.6 | 0.233 | 0.264 | A | 351.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u33 | 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 | 7U33B | P49841 | 37 | 382 | 420.0 | L7R:402 | Type1 | Active | DFGin | 6.9949 | 14.0924 | BLAminus | -141.31, 178.2 | 60.97, 83.82 | -100.06, 16.34 | 288.93, 78.7 | -51.51, -27.59 | in-in | in | 8.5327 | Saltbr-in | 2.7534 | HRD-in | -72.1, -49.87 | 75.78, 7.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.989 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.62, 168.53 | APE9-dihe-na | 77.45, 140.58 | APE8-dihe-in | -89.54, 146.71 | APE8-rot-in | 285.53 | APE67-dihe-in | -82.12, -10.74 | -0.24, -85.34 | APE12-dist-in | 13.0347 | APE11-dist-in | 10.9604 | APE10-dist-in | 6.0286 | APE9-dist-in | 3.1028 | None | None | None | XRAY | 2.6 | 0.233 | 0.264 | B | 351.0 | 346.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u33 | 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 |
|---|