| 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 | 8DJCA | P49841 | 35 | 382 | 420.0 | UAU:501 | Type1 | Active | DFGin | 7.1066 | 13.6454 | BLAminus | -130.93, 175.08 | 68.46, 84.27 | -99.8, 25.87 | 290.84, 77.95 | -66.29, -22.25 | in-in | in | 8.4422 | Saltbr-in | 2.6994 | HRD-in | -67.33, -44.59 | 69.12, 7.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.984 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -82.9, 169.18 | APE9-dihe-na | 83.11, 139.06 | APE8-dihe-in | -86.29, 148.88 | APE8-rot-in | 301.44 | APE67-dihe-inflip | 95.96, -28.78 | -50.91, 136.23 | APE12-dist-in | 12.9117 | APE11-dist-in | 10.8312 | APE10-dist-in | 5.8045 | APE9-dist-in | 3.2569 | None | None | None | XRAY | 2.463 | 0.217 | 0.242 | A | 441.0 | 331.0 | 17 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djc | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 | 8DJCB | P49841 | 35 | 385 | 420.0 | UAU:501 | Type1 | Active | DFGin | 7.1252 | 13.6329 | BLAminus | -137.19, 179.71 | 59.65, 83.27 | -96.94, 27.03 | 290.51, 79.22 | -67.53, -21.56 | in-in | in | 8.3277 | Saltbr-in | 2.738 | HRD-in | -65.99, -44.91 | 69.53, 7.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9859 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.05, 167.49 | APE9-dihe-na | 82.24, 138.29 | APE8-dihe-in | -85.04, 145.47 | APE8-rot-in | 300.63 | APE67-dihe-inflip | 98.12, -32.04 | -46.91, 135.02 | APE12-dist-in | 12.9423 | APE11-dist-in | 10.8879 | APE10-dist-in | 5.9441 | APE9-dist-in | 3.2585 | None | None | None | XRAY | 2.463 | 0.217 | 0.242 | B | 441.0 | 332.0 | 19 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djc | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 | 8DJCA | P49841 | 35 | 382 | 420.0 | UAU:501 | Type1 | Active | DFGin | 7.1066 | 13.6454 | BLAminus | -130.93, 175.08 | 68.46, 84.27 | -99.8, 25.87 | 290.84, 77.95 | -66.29, -22.25 | in-in | in | 8.4422 | Saltbr-in | 2.6994 | HRD-in | -67.33, -44.59 | 69.12, 7.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.984 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -82.9, 169.18 | APE9-dihe-na | 83.11, 139.06 | APE8-dihe-in | -86.29, 148.88 | APE8-rot-in | 301.44 | APE67-dihe-inflip | 95.96, -28.78 | -50.91, 136.23 | APE12-dist-in | 12.9117 | APE11-dist-in | 10.8312 | APE10-dist-in | 5.8045 | APE9-dist-in | 3.2569 | None | None | None | XRAY | 2.463 | 0.217 | 0.242 | A | 441.0 | 331.0 | 17 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djc | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 | 8DJCB | P49841 | 35 | 385 | 420.0 | UAU:501 | Type1 | Active | DFGin | 7.1252 | 13.6329 | BLAminus | -137.19, 179.71 | 59.65, 83.27 | -96.94, 27.03 | 290.51, 79.22 | -67.53, -21.56 | in-in | in | 8.3277 | Saltbr-in | 2.738 | HRD-in | -65.99, -44.91 | 69.53, 7.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9859 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.05, 167.49 | APE9-dihe-na | 82.24, 138.29 | APE8-dihe-in | -85.04, 145.47 | APE8-rot-in | 300.63 | APE67-dihe-inflip | 98.12, -32.04 | -46.91, 135.02 | APE12-dist-in | 12.9423 | APE11-dist-in | 10.8879 | APE10-dist-in | 5.9441 | APE9-dist-in | 3.2585 | None | None | None | XRAY | 2.463 | 0.217 | 0.242 | B | 441.0 | 332.0 | 19 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8djc | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 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 |
|---|