| 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 | 6H0UA | P49841 | 36 | 383 | 420.0 | FKB:501 | Type1 | Active | DFGin | 6.7319 | 13.816 | BLAminus | -102.2, -173.91 | 62.01, 94.18 | -105.02, 23.81 | 292.61, 84.27 | -66.96, -25.5 | in-in | in | 8.7982 | Saltbr-in | 2.7262 | HRD-in | -71.89, -49.13 | 79.92, 3.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9659 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -77.85, 170.11 | APE9-dihe-na | 84.06, 143.45 | APE8-dihe-in | -90.7, 142.53 | APE8-rot-in | 301.69 | APE67-dihe-in | -73.12, -14.65 | -13.27, -76.63 | APE12-dist-in | 12.9549 | APE11-dist-in | 10.8677 | APE10-dist-in | 5.7603 | APE9-dist-in | 3.2229 | None | None | None | XRAY | 2.3 | 0.195 | 0.24 | A | 420.0 | 348.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6h0u | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 | 6H0UB | P49841 | 36 | 383 | 420.0 | FKB:501 | Type1 | Active | DFGin | 6.6481 | 13.9725 | BLAminus | -111.78, 175.04 | 68.36, 93.29 | -102.83, 22.46 | 286.57, 84.56 | -63.31, -24.15 | in-in | in | 8.7633 | Saltbr-in | 2.7449 | HRD-in | -68.5, -49.8 | 75.08, 1.45 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8506 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.21, 171.64 | APE9-dihe-na | 80.61, 138.7 | APE8-dihe-in | -91.3, 150.17 | APE8-rot-in | 304.68 | APE67-dihe-inflip | 101.55, -29.52 | -53.44, 134.06 | APE12-dist-in | 12.722 | APE11-dist-in | 10.7262 | APE10-dist-in | 5.7037 | APE9-dist-in | 3.1629 | None | None | None | XRAY | 2.3 | 0.195 | 0.24 | B | 420.0 | 348.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6h0u | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 | 6H0UA | P49841 | 36 | 383 | 420.0 | FKB:501 | Type1 | Active | DFGin | 6.7319 | 13.816 | BLAminus | -102.2, -173.91 | 62.01, 94.18 | -105.02, 23.81 | 292.61, 84.27 | -66.96, -25.5 | in-in | in | 8.7982 | Saltbr-in | 2.7262 | HRD-in | -71.89, -49.13 | 79.92, 3.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9659 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -77.85, 170.11 | APE9-dihe-na | 84.06, 143.45 | APE8-dihe-in | -90.7, 142.53 | APE8-rot-in | 301.69 | APE67-dihe-in | -73.12, -14.65 | -13.27, -76.63 | APE12-dist-in | 12.9549 | APE11-dist-in | 10.8677 | APE10-dist-in | 5.7603 | APE9-dist-in | 3.2229 | None | None | None | XRAY | 2.3 | 0.195 | 0.24 | A | 420.0 | 348.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6h0u | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 | 6H0UB | P49841 | 36 | 383 | 420.0 | FKB:501 | Type1 | Active | DFGin | 6.6481 | 13.9725 | BLAminus | -111.78, 175.04 | 68.36, 93.29 | -102.83, 22.46 | 286.57, 84.56 | -63.31, -24.15 | in-in | in | 8.7633 | Saltbr-in | 2.7449 | HRD-in | -68.5, -49.8 | 75.08, 1.45 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8506 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.21, 171.64 | APE9-dihe-na | 80.61, 138.7 | APE8-dihe-in | -91.3, 150.17 | APE8-rot-in | 304.68 | APE67-dihe-inflip | 101.55, -29.52 | -53.44, 134.06 | APE12-dist-in | 12.722 | APE11-dist-in | 10.7262 | APE10-dist-in | 5.7037 | APE9-dist-in | 3.1629 | None | None | None | XRAY | 2.3 | 0.195 | 0.24 | B | 420.0 | 348.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6h0u | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 |
|---|