| 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 | 8FF8A | P49841 | 36 | 382 | 420.0 | XV0:501 | Type1 | Active | DFGin | 7.2002 | 13.7357 | BLAminus | -135.89, 175.65 | 65.86, 84.5 | -97.83, 25.7 | 284.17, 77.94 | -66.05, -27.44 | in-in | in | 8.341 | Saltbr-in | 2.7523 | HRD-in | -68.43, -43.4 | 70.29, 3.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8419 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.65, 167.87 | APE9-dihe-na | 84.02, 136.04 | APE8-dihe-in | -86.03, 151.96 | APE8-rot-in | 298.92 | APE67-dihe-inflip | 95.48, -31.71 | -43.39, 129.41 | APE12-dist-in | 12.7414 | APE11-dist-in | 10.7529 | APE10-dist-in | 5.7907 | APE9-dist-in | 3.2113 | None | None | None | XRAY | 2.33 | 0.198 | 0.217 | A | 441.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8ff8 | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 | 8FF8B | P49841 | 36 | 385 | 420.0 | XV0:501 | Type1 | Active | DFGin | 7.2005 | 13.8111 | BLAminus | -130.19, -175.53 | 57.72, 85.5 | -98.92, 25.25 | 283.55, 78.69 | -65.7, -29.77 | in-in | in | 8.3387 | Saltbr-in | 2.7464 | HRD-in | -67.11, -43.98 | 70.41, 3.15 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.825 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.86, 169.83 | APE9-dihe-na | 81.04, 142.01 | APE8-dihe-in | -96.19, 150.13 | APE8-rot-in | 300.46 | APE67-dihe-inflip | 95.56, -32.32 | -40.34, 130.68 | APE12-dist-in | 12.779 | APE11-dist-in | 10.7843 | APE10-dist-in | 5.8246 | APE9-dist-in | 3.2182 | None | None | None | XRAY | 2.33 | 0.198 | 0.217 | B | 441.0 | 346.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8ff8 | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 | 8FF8A | P49841 | 36 | 382 | 420.0 | XV0:501 | Type1 | Active | DFGin | 7.2002 | 13.7357 | BLAminus | -135.89, 175.65 | 65.86, 84.5 | -97.83, 25.7 | 284.17, 77.94 | -66.05, -27.44 | in-in | in | 8.341 | Saltbr-in | 2.7523 | HRD-in | -68.43, -43.4 | 70.29, 3.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8419 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.65, 167.87 | APE9-dihe-na | 84.02, 136.04 | APE8-dihe-in | -86.03, 151.96 | APE8-rot-in | 298.92 | APE67-dihe-inflip | 95.48, -31.71 | -43.39, 129.41 | APE12-dist-in | 12.7414 | APE11-dist-in | 10.7529 | APE10-dist-in | 5.7907 | APE9-dist-in | 3.2113 | None | None | None | XRAY | 2.33 | 0.198 | 0.217 | A | 441.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8ff8 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 | 8FF8B | P49841 | 36 | 385 | 420.0 | XV0:501 | Type1 | Active | DFGin | 7.2005 | 13.8111 | BLAminus | -130.19, -175.53 | 57.72, 85.5 | -98.92, 25.25 | 283.55, 78.69 | -65.7, -29.77 | in-in | in | 8.3387 | Saltbr-in | 2.7464 | HRD-in | -67.11, -43.98 | 70.41, 3.15 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.825 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.86, 169.83 | APE9-dihe-na | 81.04, 142.01 | APE8-dihe-in | -96.19, 150.13 | APE8-rot-in | 300.46 | APE67-dihe-inflip | 95.56, -32.32 | -40.34, 130.68 | APE12-dist-in | 12.779 | APE11-dist-in | 10.7843 | APE10-dist-in | 5.8246 | APE9-dist-in | 3.2182 | None | None | None | XRAY | 2.33 | 0.198 | 0.217 | B | 441.0 | 346.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8ff8 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 |
|---|