| 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 | 4J1RA | P49841 | 36 | 383 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1431 | 14.149 | BLAminus | -140.34, -172.16 | 50.83, 73.0 | -88.1, 31.44 | 288.82, 75.41 | -70.78, -20.52 | in-in | in | 8.3393 | Saltbr-in | 3.0257 | HRD-in | -70.85, -43.96 | 67.49, 12.65 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9176 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.66, 159.85 | APE9-dihe-na | 83.41, 158.3 | APE8-dihe-in | -70.39, 137.75 | APE8-rot-in | 276.14 | APE67-dihe-in | -62.89, -24.7 | -48.3, -48.41 | APE12-dist-in | 13.4658 | APE11-dist-in | 11.8784 | APE10-dist-in | 7.0059 | APE9-dist-in | 3.199 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | A | 424.0 | 344.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 4J1RB | P49841 | 36 | 384 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1595 | 14.1324 | BLAminus | -138.14, -172.1 | 51.97, 73.85 | -90.74, 32.74 | 288.65, 76.48 | -71.96, -19.84 | in-in | in | 8.3512 | Saltbr-in | 3.0798 | HRD-in | -72.6, -39.29 | 60.47, 16.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8744 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -158.96, 157.32 | APE9-dihe-na | 86.27, 160.84 | APE8-dihe-in | -74.2, 139.51 | APE8-rot-in | 270.87 | APE67-dihe-in | -63.78, -23.12 | -48.17, -50.06 | APE12-dist-in | 13.4606 | APE11-dist-in | 11.6326 | APE10-dist-in | 6.9809 | APE9-dist-in | 3.1987 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | B | 424.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 4J1RC | P49841 | 36 | 384 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1535 | 14.1448 | BLAminus | -137.53, -170.95 | 51.06, 74.57 | -90.65, 33.09 | 289.21, 75.99 | -73.08, -20.73 | in-in | in | 8.3436 | Saltbr-in | 3.0086 | HRD-in | -71.61, -39.59 | 60.78, 16.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9513 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.54, 161.15 | APE9-dihe-na | 82.95, 157.27 | APE8-dihe-in | -71.13, 139.05 | APE8-rot-in | 271.75 | APE67-dihe-in | -63.34, -23.83 | -48.75, -48.68 | APE12-dist-in | 13.4752 | APE11-dist-in | 11.9746 | APE10-dist-in | 7.0273 | APE9-dist-in | 3.2194 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | C | 424.0 | 345.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 4J1RD | P49841 | 36 | 384 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1575 | 14.143 | BLAminus | -136.3, -170.0 | 51.29, 73.39 | -89.98, 32.08 | 288.97, 75.59 | -72.78, -18.14 | in-in | in | 8.3472 | Saltbr-in | 3.0818 | HRD-in | -65.4, -45.24 | 73.44, 1.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9291 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -152.81, 157.82 | APE9-dihe-na | 85.66, 159.76 | APE8-dihe-in | -71.48, 137.15 | APE8-rot-in | 266.3 | APE67-dihe-in | -62.21, -25.06 | -46.41, -50.2 | APE12-dist-in | 13.4651 | APE11-dist-in | 11.9016 | APE10-dist-in | 7.0243 | APE9-dist-in | 3.1172 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | D | 424.0 | 346.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 4J1RA | P49841 | 36 | 383 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1431 | 14.149 | BLAminus | -140.34, -172.16 | 50.83, 73.0 | -88.1, 31.44 | 288.82, 75.41 | -70.78, -20.52 | in-in | in | 8.3393 | Saltbr-in | 3.0257 | HRD-in | -70.85, -43.96 | 67.49, 12.65 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9176 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.66, 159.85 | APE9-dihe-na | 83.41, 158.3 | APE8-dihe-in | -70.39, 137.75 | APE8-rot-in | 276.14 | APE67-dihe-in | -62.89, -24.7 | -48.3, -48.41 | APE12-dist-in | 13.4658 | APE11-dist-in | 11.8784 | APE10-dist-in | 7.0059 | APE9-dist-in | 3.199 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | A | 424.0 | 344.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 4J1RB | P49841 | 36 | 384 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1595 | 14.1324 | BLAminus | -138.14, -172.1 | 51.97, 73.85 | -90.74, 32.74 | 288.65, 76.48 | -71.96, -19.84 | in-in | in | 8.3512 | Saltbr-in | 3.0798 | HRD-in | -72.6, -39.29 | 60.47, 16.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8744 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -158.96, 157.32 | APE9-dihe-na | 86.27, 160.84 | APE8-dihe-in | -74.2, 139.51 | APE8-rot-in | 270.87 | APE67-dihe-in | -63.78, -23.12 | -48.17, -50.06 | APE12-dist-in | 13.4606 | APE11-dist-in | 11.6326 | APE10-dist-in | 6.9809 | APE9-dist-in | 3.1987 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | B | 424.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 4J1RC | P49841 | 36 | 384 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1535 | 14.1448 | BLAminus | -137.53, -170.95 | 51.06, 74.57 | -90.65, 33.09 | 289.21, 75.99 | -73.08, -20.73 | in-in | in | 8.3436 | Saltbr-in | 3.0086 | HRD-in | -71.61, -39.59 | 60.78, 16.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9513 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.54, 161.15 | APE9-dihe-na | 82.95, 157.27 | APE8-dihe-in | -71.13, 139.05 | APE8-rot-in | 271.75 | APE67-dihe-in | -63.34, -23.83 | -48.75, -48.68 | APE12-dist-in | 13.4752 | APE11-dist-in | 11.9746 | APE10-dist-in | 7.0273 | APE9-dist-in | 3.2194 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | C | 424.0 | 345.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 4J1RD | P49841 | 36 | 384 | 420.0 | I5R:502 | Type1 | Active | DFGin | 7.1575 | 14.143 | BLAminus | -136.3, -170.0 | 51.29, 73.39 | -89.98, 32.08 | 288.97, 75.59 | -72.78, -18.14 | in-in | in | 8.3472 | Saltbr-in | 3.0818 | HRD-in | -65.4, -45.24 | 73.44, 1.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9291 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -152.81, 157.82 | APE9-dihe-na | 85.66, 159.76 | APE8-dihe-in | -71.48, 137.15 | APE8-rot-in | 266.3 | APE67-dihe-in | -62.21, -25.06 | -46.41, -50.2 | APE12-dist-in | 13.4651 | APE11-dist-in | 11.9016 | APE10-dist-in | 7.0243 | APE9-dist-in | 3.1172 | None | PTR216 | PTR216 | XRAY | 2.702 | 0.174 | 0.193 | D | 424.0 | 346.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4j1r | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 |
|---|