| 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 | 3I4BA | P49841 | 25 | 385 | 420.0 | Z48:501 | Type1 | Active | DFGin | 6.6409 | 13.6459 | BLAminus | -134.01, -176.44 | 58.71, 78.24 | -93.71, 24.37 | 285.69, 79.56 | -67.57, -20.03 | in-in | in | 8.4755 | Saltbr-in | 2.6366 | HRD-in | -63.92, -46.73 | 77.65, -7.51 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9496 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -88.08, 174.13 | APE9-dihe-na | 79.29, 137.44 | APE8-dihe-in | -92.27, 151.07 | APE8-rot-in | 303.5 | APE67-dihe-inflip | 83.63, -1.22 | -43.52, 132.98 | APE12-dist-in | 13.0087 | APE11-dist-in | 10.9391 | APE10-dist-in | 5.839 | APE9-dist-in | 3.1024 | None | None | None | XRAY | 2.3 | 0.181 | 0.222 | A | 414.0 | 359.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3i4b | 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 | 3I4BB | P49841 | 36 | 382 | 420.0 | Z48:501 | Type1 | Active | DFGin | 7.0103 | 13.6549 | BLAminus | -135.85, -175.31 | 58.14, 77.59 | -93.89, 21.58 | 285.55, 84.81 | -65.19, -18.79 | in-in | in | 8.5085 | Saltbr-in | 2.617 | HRD-in | -67.57, -44.79 | 75.92, -6.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.941 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -87.93, 173.5 | APE9-dihe-na | 79.53, 137.7 | APE8-dihe-in | -93.51, 150.41 | APE8-rot-in | 299.4 | APE67-dihe-inflip | 78.16, -1.88 | -37.33, 134.24 | APE12-dist-in | 13.0428 | APE11-dist-in | 10.917 | APE10-dist-in | 5.8278 | APE9-dist-in | 3.1154 | None | None | None | XRAY | 2.3 | 0.181 | 0.222 | B | 414.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3i4b | 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 | 3I4BA | P49841 | 25 | 385 | 420.0 | Z48:501 | Type1 | Active | DFGin | 6.6409 | 13.6459 | BLAminus | -134.01, -176.44 | 58.71, 78.24 | -93.71, 24.37 | 285.69, 79.56 | -67.57, -20.03 | in-in | in | 8.4755 | Saltbr-in | 2.6366 | HRD-in | -63.92, -46.73 | 77.65, -7.51 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9496 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -88.08, 174.13 | APE9-dihe-na | 79.29, 137.44 | APE8-dihe-in | -92.27, 151.07 | APE8-rot-in | 303.5 | APE67-dihe-inflip | 83.63, -1.22 | -43.52, 132.98 | APE12-dist-in | 13.0087 | APE11-dist-in | 10.9391 | APE10-dist-in | 5.839 | APE9-dist-in | 3.1024 | None | None | None | XRAY | 2.3 | 0.181 | 0.222 | A | 414.0 | 359.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3i4b | 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 | 3I4BB | P49841 | 36 | 382 | 420.0 | Z48:501 | Type1 | Active | DFGin | 7.0103 | 13.6549 | BLAminus | -135.85, -175.31 | 58.14, 77.59 | -93.89, 21.58 | 285.55, 84.81 | -65.19, -18.79 | in-in | in | 8.5085 | Saltbr-in | 2.617 | HRD-in | -67.57, -44.79 | 75.92, -6.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.941 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -87.93, 173.5 | APE9-dihe-na | 79.53, 137.7 | APE8-dihe-in | -93.51, 150.41 | APE8-rot-in | 299.4 | APE67-dihe-inflip | 78.16, -1.88 | -37.33, 134.24 | APE12-dist-in | 13.0428 | APE11-dist-in | 10.917 | APE10-dist-in | 5.8278 | APE9-dist-in | 3.1154 | None | None | None | XRAY | 2.3 | 0.181 | 0.222 | B | 414.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3i4b | 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 |
|---|