| 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 | 4ACGA | P49841 | 35 | 385 | 420.0 | 6LQ:1385 | Type1 | Active | DFGin | 7.0033 | 13.7172 | BLAminus | -136.29, 179.17 | 66.16, 92.5 | -104.82, 26.85 | 285.89, 83.54 | -71.26, -31.7 | in-in | in | 8.2753 | Saltbr-in | 2.8663 | HRD-in | -62.3, -47.68 | 71.35, 0.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -94.26, 169.3 | APE9-dihe-na | 82.24, 136.71 | APE8-dihe-in | -91.92, 145.05 | APE8-rot-in | 294.1 | APE67-dihe-inflip | 97.4, -31.68 | -47.8, 134.4 | APE12-dist-in | 12.9461 | APE11-dist-in | 10.9812 | APE10-dist-in | 5.9282 | APE9-dist-in | 3.2924 | None | None | None | XRAY | 2.6 | 0.177 | 0.225 | A | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acg | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 | 4ACGB | P49841 | 35 | 385 | 420.0 | 6LQ:1385 | Type1 | Active | DFGin | 7.0603 | 13.6101 | BLAminus | -135.89, 178.4 | 67.23, 92.34 | -105.78, 27.09 | 285.23, 82.98 | -71.05, -30.43 | in-in | in | 8.3794 | Saltbr-in | 2.9801 | HRD-in | -63.74, -47.68 | 70.98, 1.15 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9729 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.69, 168.91 | APE9-dihe-na | 83.12, 137.88 | APE8-dihe-in | -91.66, 145.04 | APE8-rot-in | 292.39 | APE67-dihe-inflip | 98.28, -31.78 | -48.39, 133.48 | APE12-dist-in | 12.9182 | APE11-dist-in | 10.9335 | APE10-dist-in | 5.917 | APE9-dist-in | 3.2904 | None | None | None | XRAY | 2.6 | 0.177 | 0.225 | B | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acg | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 | 4ACGA | P49841 | 35 | 385 | 420.0 | 6LQ:1385 | Type1 | Active | DFGin | 7.0033 | 13.7172 | BLAminus | -136.29, 179.17 | 66.16, 92.5 | -104.82, 26.85 | 285.89, 83.54 | -71.26, -31.7 | in-in | in | 8.2753 | Saltbr-in | 2.8663 | HRD-in | -62.3, -47.68 | 71.35, 0.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9897 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -94.26, 169.3 | APE9-dihe-na | 82.24, 136.71 | APE8-dihe-in | -91.92, 145.05 | APE8-rot-in | 294.1 | APE67-dihe-inflip | 97.4, -31.68 | -47.8, 134.4 | APE12-dist-in | 12.9461 | APE11-dist-in | 10.9812 | APE10-dist-in | 5.9282 | APE9-dist-in | 3.2924 | None | None | None | XRAY | 2.6 | 0.177 | 0.225 | A | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acg | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 | 4ACGB | P49841 | 35 | 385 | 420.0 | 6LQ:1385 | Type1 | Active | DFGin | 7.0603 | 13.6101 | BLAminus | -135.89, 178.4 | 67.23, 92.34 | -105.78, 27.09 | 285.23, 82.98 | -71.05, -30.43 | in-in | in | 8.3794 | Saltbr-in | 2.9801 | HRD-in | -63.74, -47.68 | 70.98, 1.15 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9729 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.69, 168.91 | APE9-dihe-na | 83.12, 137.88 | APE8-dihe-in | -91.66, 145.04 | APE8-rot-in | 292.39 | APE67-dihe-inflip | 98.28, -31.78 | -48.39, 133.48 | APE12-dist-in | 12.9182 | APE11-dist-in | 10.9335 | APE10-dist-in | 5.917 | APE9-dist-in | 3.2904 | None | None | None | XRAY | 2.6 | 0.177 | 0.225 | B | 465.0 | 351.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4acg | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 4.4e-70 | 242.4 | 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 |
|---|