| 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 | 3PUPA | P49841 | 35 | 382 | 420.0 | OS1:421 | Type1 | Active | DFGin | 6.9952 | 13.6372 | BLAminus | -143.74, 172.61 | 64.16, 94.87 | -107.49, 13.61 | 287.44, 72.72 | -52.4, -32.47 | in-in | in | 8.4428 | Saltbr-in | 2.8069 | HRD-in | -86.73, -34.2 | 66.44, 7.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8568 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -111.24, -13.27 | APE9-dihe-na | -89.84, 168.85 | APE8-dihe-in | -94.34, 159.6 | APE8-rot-in | 296.79 | APE67-dihe-in | -69.26, -2.79 | -42.9, -70.67 | APE12-dist-in | 13.0555 | APE11-dist-in | 10.9122 | APE10-dist-in | 6.171 | APE9-dist-in | 3.4857 | None | None | None | XRAY | 2.99 | 0.206 | 0.249 | A | 420.0 | 346.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3pup | CMGC_GSK3B_HUMAN | CMGC | 3.2e-70 | 242.8 | 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 | 3PUPB | P49841 | 35 | 383 | 420.0 | OS1:421 | Type1 | Active | DFGin | 6.9868 | 13.6463 | BLAminus | -146.61, 171.7 | 65.62, 100.17 | -113.12, 21.06 | 287.13, 70.81 | -60.05, -30.47 | in-in | in | 8.4793 | Saltbr-in | 2.972 | HRD-in | -88.21, -42.27 | 77.46, 8.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.812 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -103.13, -17.37 | APE9-dihe-na | -97.38, 160.84 | APE8-dihe-in | -100.44, 160.76 | APE8-rot-in | 282.35 | APE67-dihe-in | -75.14, -2.22 | -49.84, -64.39 | APE12-dist-in | 13.1068 | APE11-dist-in | 10.9755 | APE10-dist-in | 6.4999 | APE9-dist-in | 3.7505 | None | None | None | XRAY | 2.99 | 0.206 | 0.249 | B | 420.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3pup | CMGC_GSK3B_HUMAN | CMGC | 3.2e-70 | 242.8 | 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 | 3PUPA | P49841 | 35 | 382 | 420.0 | OS1:421 | Type1 | Active | DFGin | 6.9952 | 13.6372 | BLAminus | -143.74, 172.61 | 64.16, 94.87 | -107.49, 13.61 | 287.44, 72.72 | -52.4, -32.47 | in-in | in | 8.4428 | Saltbr-in | 2.8069 | HRD-in | -86.73, -34.2 | 66.44, 7.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8568 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -111.24, -13.27 | APE9-dihe-na | -89.84, 168.85 | APE8-dihe-in | -94.34, 159.6 | APE8-rot-in | 296.79 | APE67-dihe-in | -69.26, -2.79 | -42.9, -70.67 | APE12-dist-in | 13.0555 | APE11-dist-in | 10.9122 | APE10-dist-in | 6.171 | APE9-dist-in | 3.4857 | None | None | None | XRAY | 2.99 | 0.206 | 0.249 | A | 420.0 | 346.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3pup | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.2e-70 | 242.8 | 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 | 3PUPB | P49841 | 35 | 383 | 420.0 | OS1:421 | Type1 | Active | DFGin | 6.9868 | 13.6463 | BLAminus | -146.61, 171.7 | 65.62, 100.17 | -113.12, 21.06 | 287.13, 70.81 | -60.05, -30.47 | in-in | in | 8.4793 | Saltbr-in | 2.972 | HRD-in | -88.21, -42.27 | 77.46, 8.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.812 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -103.13, -17.37 | APE9-dihe-na | -97.38, 160.84 | APE8-dihe-in | -100.44, 160.76 | APE8-rot-in | 282.35 | APE67-dihe-in | -75.14, -2.22 | -49.84, -64.39 | APE12-dist-in | 13.1068 | APE11-dist-in | 10.9755 | APE10-dist-in | 6.4999 | APE9-dist-in | 3.7505 | None | None | None | XRAY | 2.99 | 0.206 | 0.249 | B | 420.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3pup | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.2e-70 | 242.8 | 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 |
|---|