| 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 | 6HK3A | P49841 | 35 | 384 | 420.0 | G8B:401 | Type1 | Inactive | DFGin | 6.9186 | 13.7488 | BLAminus | -140.26, -177.42 | 53.43, 89.98 | -101.44, 26.95 | 281.28, 77.81 | -71.94, -4.92 | in-in | in | 8.2647 | Saltbr-in | 2.5202 | HRD-in | -65.54, -43.12 | 59.71, 15.8 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9314 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -120.05, -174.23 | APE9-dihe-na | 65.54, 142.28 | APE8-dihe-in | -62.37, 137.73 | APE8-rot-out | 183.0 | APE67-dihe-in | -57.53, -32.37 | -39.19, -57.21 | APE12-dist-in | 13.3885 | APE11-dist-in | 11.7623 | APE10-dist-in | 6.4209 | APE9-dist-in | 3.2183 | None | PTR216 | PTR216 | XRAY | 2.35 | 0.206 | 0.234 | A | 350.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6hk3 | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 6HK3B | P49841 | 35 | 384 | 420.0 | G8B:401 | Type1 | Active | DFGin | 6.7879 | 13.6408 | BLAminus | -137.2, -177.06 | 49.94, 95.88 | -103.42, 19.32 | 279.02, 79.18 | -69.5, -12.66 | in-in | in | 8.1675 | Saltbr-in | 2.6023 | HRD-in | -82.47, -44.32 | 66.17, 21.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8186 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.65, -179.5 | APE9-dihe-na | 72.73, 150.58 | APE8-dihe-in | -63.57, 140.77 | APE8-rot-in | 271.9 | APE67-dihe-in | -55.77, -29.98 | -51.2, -52.31 | APE12-dist-in | 13.4077 | APE11-dist-in | 11.6419 | APE10-dist-in | 6.3651 | APE9-dist-in | 3.2489 | None | PTR216 | PTR216 | XRAY | 2.35 | 0.206 | 0.234 | B | 350.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6hk3 | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 6HK3A | P49841 | 35 | 384 | 420.0 | G8B:401 | Type1 | Inactive | DFGin | 6.9186 | 13.7488 | BLAminus | -140.26, -177.42 | 53.43, 89.98 | -101.44, 26.95 | 281.28, 77.81 | -71.94, -4.92 | in-in | in | 8.2647 | Saltbr-in | 2.5202 | HRD-in | -65.54, -43.12 | 59.71, 15.8 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9314 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -120.05, -174.23 | APE9-dihe-na | 65.54, 142.28 | APE8-dihe-in | -62.37, 137.73 | APE8-rot-out | 183.0 | APE67-dihe-in | -57.53, -32.37 | -39.19, -57.21 | APE12-dist-in | 13.3885 | APE11-dist-in | 11.7623 | APE10-dist-in | 6.4209 | APE9-dist-in | 3.2183 | None | PTR216 | PTR216 | XRAY | 2.35 | 0.206 | 0.234 | A | 350.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6hk3 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 6HK3B | P49841 | 35 | 384 | 420.0 | G8B:401 | Type1 | Active | DFGin | 6.7879 | 13.6408 | BLAminus | -137.2, -177.06 | 49.94, 95.88 | -103.42, 19.32 | 279.02, 79.18 | -69.5, -12.66 | in-in | in | 8.1675 | Saltbr-in | 2.6023 | HRD-in | -82.47, -44.32 | 66.17, 21.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8186 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.65, -179.5 | APE9-dihe-na | 72.73, 150.58 | APE8-dihe-in | -63.57, 140.77 | APE8-rot-in | 271.9 | APE67-dihe-in | -55.77, -29.98 | -51.2, -52.31 | APE12-dist-in | 13.4077 | APE11-dist-in | 11.6419 | APE10-dist-in | 6.3651 | APE9-dist-in | 3.2489 | None | PTR216 | PTR216 | XRAY | 2.35 | 0.206 | 0.234 | B | 350.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6hk3 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 |
|---|