| 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 | 6Y9SA | P49841 | 35 | 383 | 420.0 | OHK:401 | Type1 | Inactive | DFGin | 6.7588 | 13.6151 | ABAminus | -144.68, -36.37 | -95.25, 102.78 | -104.54, 22.52 | 286.7, 80.89 | -71.31, -22.3 | in-in | in | 8.4688 | Saltbr-in | 2.731 | HRD-in | -69.96, -46.79 | 66.16, 22.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8691 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -143.41, 160.13 | APE9-dihe-na | 78.21, 163.56 | APE8-dihe-in | -74.57, 133.14 | APE8-rot-out | 174.03 | APE67-dihe-in | -60.25, -21.67 | -45.31, -52.5 | APE12-dist-in | 13.3908 | APE11-dist-in | 11.6341 | APE10-dist-in | 6.8152 | APE9-dist-in | 3.2172 | None | PTR216 | PTR216 | XRAY | 2.03 | 0.204 | 0.249 | A | 350.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6y9s | 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 | 6Y9SB | P49841 | 35 | 383 | 420.0 | OHK:401 | Type1 | Inactive | DFGin | 6.4656 | 13.6443 | ABAminus | -142.08, -29.11 | -101.71, 107.32 | -109.34, 26.02 | 290.64, 79.47 | -70.13, -24.37 | in-in | in | 8.6267 | Saltbr-in | 2.6258 | HRD-in | -62.98, -47.75 | 66.63, 19.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8706 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -149.54, 160.17 | APE9-dihe-na | 74.78, 156.26 | APE8-dihe-in | -72.21, 136.72 | APE8-rot-out | 179.96 | APE67-dihe-in | -63.91, -18.81 | -47.88, -49.22 | APE12-dist-in | 13.498 | APE11-dist-in | 11.6964 | APE10-dist-in | 6.9402 | APE9-dist-in | 3.1721 | None | PTR216 | PTR216 | XRAY | 2.03 | 0.204 | 0.249 | B | 350.0 | 340.0 | 9 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6y9s | 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 | 6Y9SA | P49841 | 35 | 383 | 420.0 | OHK:401 | Type1 | Inactive | DFGin | 6.7588 | 13.6151 | ABAminus | -144.68, -36.37 | -95.25, 102.78 | -104.54, 22.52 | 286.7, 80.89 | -71.31, -22.3 | in-in | in | 8.4688 | Saltbr-in | 2.731 | HRD-in | -69.96, -46.79 | 66.16, 22.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8691 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -143.41, 160.13 | APE9-dihe-na | 78.21, 163.56 | APE8-dihe-in | -74.57, 133.14 | APE8-rot-out | 174.03 | APE67-dihe-in | -60.25, -21.67 | -45.31, -52.5 | APE12-dist-in | 13.3908 | APE11-dist-in | 11.6341 | APE10-dist-in | 6.8152 | APE9-dist-in | 3.2172 | None | PTR216 | PTR216 | XRAY | 2.03 | 0.204 | 0.249 | A | 350.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6y9s | 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 | 6Y9SB | P49841 | 35 | 383 | 420.0 | OHK:401 | Type1 | Inactive | DFGin | 6.4656 | 13.6443 | ABAminus | -142.08, -29.11 | -101.71, 107.32 | -109.34, 26.02 | 290.64, 79.47 | -70.13, -24.37 | in-in | in | 8.6267 | Saltbr-in | 2.6258 | HRD-in | -62.98, -47.75 | 66.63, 19.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8706 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -149.54, 160.17 | APE9-dihe-na | 74.78, 156.26 | APE8-dihe-in | -72.21, 136.72 | APE8-rot-out | 179.96 | APE67-dihe-in | -63.91, -18.81 | -47.88, -49.22 | APE12-dist-in | 13.498 | APE11-dist-in | 11.6964 | APE10-dist-in | 6.9402 | APE9-dist-in | 3.1721 | None | PTR216 | PTR216 | XRAY | 2.03 | 0.204 | 0.249 | B | 350.0 | 340.0 | 9 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6y9s | 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 |
|---|