| 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 | 3L1SA | P49841 | 25 | 384 | 420.0 | Z92:421 | Type1 | Active | DFGin | 6.7571 | 13.7476 | BLAminus | -136.19, -175.27 | 59.75, 67.96 | -82.46, 22.04 | 287.73, 86.13 | -66.81, -21.63 | in-in | in | 8.5179 | Saltbr-in | 2.7076 | HRD-in | -64.1, -46.34 | 73.45, -1.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.949 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.65, 172.3 | APE9-dihe-na | 79.23, 137.51 | APE8-dihe-in | -89.89, 147.82 | APE8-rot-in | 303.47 | APE67-dihe-inflip | 83.2, -1.08 | -42.22, 131.52 | APE12-dist-in | 13.0072 | APE11-dist-in | 10.8922 | APE10-dist-in | 5.8943 | APE9-dist-in | 3.1607 | None | None | None | XRAY | 2.9 | 0.186 | 0.232 | A | 414.0 | 336.0 | 21 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3l1s | CMGC_GSK3B_HUMAN | CMGC | 3.1e-70 | 242.9 | 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 | 3L1SB | P49841 | 36 | 382 | 420.0 | Z92:422 | Type1 | Active | DFGin | 6.9841 | 13.7797 | BLAminus | -136.63, -175.36 | 61.34, 59.7 | -75.09, 22.69 | 291.46, 84.75 | -66.47, -23.35 | in-in | in | 8.551 | Saltbr-in | 2.7367 | HRD-in | -65.65, -45.98 | 77.68, -13.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9365 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.08, 173.03 | APE9-dihe-na | 76.72, 137.31 | APE8-dihe-in | -89.1, 148.7 | APE8-rot-in | 302.46 | APE67-dihe-inflip | 83.32, 3.78 | -42.62, 131.74 | APE12-dist-in | 13.0142 | APE11-dist-in | 10.916 | APE10-dist-in | 6.1494 | APE9-dist-in | 3.1214 | None | None | None | XRAY | 2.9 | 0.186 | 0.232 | B | 414.0 | 330.0 | 17 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3l1s | CMGC_GSK3B_HUMAN | CMGC | 3.1e-70 | 242.9 | 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 | 3L1SA | P49841 | 25 | 384 | 420.0 | Z92:421 | Type1 | Active | DFGin | 6.7571 | 13.7476 | BLAminus | -136.19, -175.27 | 59.75, 67.96 | -82.46, 22.04 | 287.73, 86.13 | -66.81, -21.63 | in-in | in | 8.5179 | Saltbr-in | 2.7076 | HRD-in | -64.1, -46.34 | 73.45, -1.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.949 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.65, 172.3 | APE9-dihe-na | 79.23, 137.51 | APE8-dihe-in | -89.89, 147.82 | APE8-rot-in | 303.47 | APE67-dihe-inflip | 83.2, -1.08 | -42.22, 131.52 | APE12-dist-in | 13.0072 | APE11-dist-in | 10.8922 | APE10-dist-in | 5.8943 | APE9-dist-in | 3.1607 | None | None | None | XRAY | 2.9 | 0.186 | 0.232 | A | 414.0 | 336.0 | 21 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3l1s | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.1e-70 | 242.9 | 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 | 3L1SB | P49841 | 36 | 382 | 420.0 | Z92:422 | Type1 | Active | DFGin | 6.9841 | 13.7797 | BLAminus | -136.63, -175.36 | 61.34, 59.7 | -75.09, 22.69 | 291.46, 84.75 | -66.47, -23.35 | in-in | in | 8.551 | Saltbr-in | 2.7367 | HRD-in | -65.65, -45.98 | 77.68, -13.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9365 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.08, 173.03 | APE9-dihe-na | 76.72, 137.31 | APE8-dihe-in | -89.1, 148.7 | APE8-rot-in | 302.46 | APE67-dihe-inflip | 83.32, 3.78 | -42.62, 131.74 | APE12-dist-in | 13.0142 | APE11-dist-in | 10.916 | APE10-dist-in | 6.1494 | APE9-dist-in | 3.1214 | None | None | None | XRAY | 2.9 | 0.186 | 0.232 | B | 414.0 | 330.0 | 17 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3l1s | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.1e-70 | 242.9 | 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 |
|---|