| 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 | 9PE9A | P49841 | 36 | 382 | 420.0 | A1CIF:900 | Type1 | Inactive | DFGin | 7.0716 | 14.2287 | BLAminus | -128.7, -179.96 | 59.31, 84.1 | -97.11, 26.91 | 283.64, 74.63 | -73.69, -18.15 | in-in | in | 8.351 | Saltbr-in | 2.7255 | HRD-in | -68.62, -45.57 | 65.7, 16.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9248 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -143.94, 165.33 | APE9-dihe-na | 76.34, 152.28 | APE8-dihe-in | -69.82, 130.62 | APE8-rot-out | 176.66 | APE67-dihe-in | -58.68, -26.71 | -39.69, -56.4 | APE12-dist-in | 13.2799 | APE11-dist-in | 11.7578 | APE10-dist-in | 7.0929 | APE9-dist-in | 3.1547 | None | PTR216 | PTR216 | XRAY | 2.11 | 0.221 | 0.247 | A | 359.0 | 332.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9pe9 | CMGC_GSK3B_HUMAN | CMGC | 2e-70 | 243.6 | 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 | 9PE9B | P49841 | 36 | 382 | 420.0 | A1CIF:900 | Type1 | Inactive | DFGin | 7.0575 | 14.2183 | BLAminus | -128.76, -179.81 | 59.6, 84.42 | -97.78, 27.09 | 283.79, 74.38 | -73.25, -17.71 | in-in | in | 8.3532 | Saltbr-in | 2.7132 | HRD-in | -68.49, -44.82 | 64.55, 18.32 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9402 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -144.27, 163.74 | APE9-dihe-na | 77.64, 152.05 | APE8-dihe-in | -69.14, 130.82 | APE8-rot-out | 177.12 | APE67-dihe-in | -58.92, -26.81 | -39.96, -55.88 | APE12-dist-in | 13.3604 | APE11-dist-in | 11.8241 | APE10-dist-in | 7.1609 | APE9-dist-in | 3.1723 | None | PTR216 | PTR216 | XRAY | 2.11 | 0.221 | 0.247 | B | 359.0 | 332.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9pe9 | CMGC_GSK3B_HUMAN | CMGC | 2e-70 | 243.6 | 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 | 9PE9A | P49841 | 36 | 382 | 420.0 | A1CIF:900 | Type1 | Inactive | DFGin | 7.0716 | 14.2287 | BLAminus | -128.7, -179.96 | 59.31, 84.1 | -97.11, 26.91 | 283.64, 74.63 | -73.69, -18.15 | in-in | in | 8.351 | Saltbr-in | 2.7255 | HRD-in | -68.62, -45.57 | 65.7, 16.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9248 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -143.94, 165.33 | APE9-dihe-na | 76.34, 152.28 | APE8-dihe-in | -69.82, 130.62 | APE8-rot-out | 176.66 | APE67-dihe-in | -58.68, -26.71 | -39.69, -56.4 | APE12-dist-in | 13.2799 | APE11-dist-in | 11.7578 | APE10-dist-in | 7.0929 | APE9-dist-in | 3.1547 | None | PTR216 | PTR216 | XRAY | 2.11 | 0.221 | 0.247 | A | 359.0 | 332.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9pe9 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2e-70 | 243.6 | 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 | 9PE9B | P49841 | 36 | 382 | 420.0 | A1CIF:900 | Type1 | Inactive | DFGin | 7.0575 | 14.2183 | BLAminus | -128.76, -179.81 | 59.6, 84.42 | -97.78, 27.09 | 283.79, 74.38 | -73.25, -17.71 | in-in | in | 8.3532 | Saltbr-in | 2.7132 | HRD-in | -68.49, -44.82 | 64.55, 18.32 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9402 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -144.27, 163.74 | APE9-dihe-na | 77.64, 152.05 | APE8-dihe-in | -69.14, 130.82 | APE8-rot-out | 177.12 | APE67-dihe-in | -58.92, -26.81 | -39.96, -55.88 | APE12-dist-in | 13.3604 | APE11-dist-in | 11.8241 | APE10-dist-in | 7.1609 | APE9-dist-in | 3.1723 | None | PTR216 | PTR216 | XRAY | 2.11 | 0.221 | 0.247 | B | 359.0 | 332.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9pe9 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2e-70 | 243.6 | 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 |
|---|