| 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 | 9FR7A | P49841 | 25 | 385 | 420.0 | A1IFJ:501 | Type1 | Active | DFGin | 6.912 | 13.9494 | BLAminus | -136.24, -176.42 | 58.55, 87.09 | -104.67, 27.04 | 287.13, 78.6 | -71.53, -14.0 | in-in | in | 8.6316 | Saltbr-in | 2.8018 | HRD-in | -71.98, -46.0 | 72.36, 9.7 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9869 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.42, 177.43 | APE9-dihe-na | 69.9, 145.82 | APE8-dihe-in | -94.03, 156.28 | APE8-rot-in | 289.17 | APE67-dihe-inflip | 91.05, -31.63 | -52.45, 141.85 | APE12-dist-in | 13.1081 | APE11-dist-in | 11.1214 | APE10-dist-in | 6.1207 | APE9-dist-in | 3.1495 | None | None | None | XRAY | 2.3 | 0.199 | 0.229 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr7 | CMGC_GSK3B_HUMAN | CMGC | 3.8e-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 | 9FR7B | P49841 | 36 | 382 | 420.0 | A1IFJ:501 | Type1 | Active | DFGin | 6.9902 | 13.9524 | BLAminus | -139.3, -178.5 | 61.7, 87.08 | -105.92, 24.05 | 284.91, 80.77 | -70.11, -13.68 | in-in | in | 8.5932 | Saltbr-in | 2.7099 | HRD-in | -71.41, -48.43 | 71.41, 11.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9398 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.82, 177.23 | APE9-dihe-na | 70.05, 146.13 | APE8-dihe-in | -96.47, 160.58 | APE8-rot-in | 285.27 | APE67-dihe-inflip | 87.67, -29.95 | -51.57, 140.33 | APE12-dist-in | 13.0082 | APE11-dist-in | 11.0074 | APE10-dist-in | 6.0448 | APE9-dist-in | 3.156 | None | None | None | XRAY | 2.3 | 0.199 | 0.229 | B | 442.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr7 | CMGC_GSK3B_HUMAN | CMGC | 3.8e-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 | 9FR7A | P49841 | 25 | 385 | 420.0 | A1IFJ:501 | Type1 | Active | DFGin | 6.912 | 13.9494 | BLAminus | -136.24, -176.42 | 58.55, 87.09 | -104.67, 27.04 | 287.13, 78.6 | -71.53, -14.0 | in-in | in | 8.6316 | Saltbr-in | 2.8018 | HRD-in | -71.98, -46.0 | 72.36, 9.7 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9869 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.42, 177.43 | APE9-dihe-na | 69.9, 145.82 | APE8-dihe-in | -94.03, 156.28 | APE8-rot-in | 289.17 | APE67-dihe-inflip | 91.05, -31.63 | -52.45, 141.85 | APE12-dist-in | 13.1081 | APE11-dist-in | 11.1214 | APE10-dist-in | 6.1207 | APE9-dist-in | 3.1495 | None | None | None | XRAY | 2.3 | 0.199 | 0.229 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr7 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-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 | 9FR7B | P49841 | 36 | 382 | 420.0 | A1IFJ:501 | Type1 | Active | DFGin | 6.9902 | 13.9524 | BLAminus | -139.3, -178.5 | 61.7, 87.08 | -105.92, 24.05 | 284.91, 80.77 | -70.11, -13.68 | in-in | in | 8.5932 | Saltbr-in | 2.7099 | HRD-in | -71.41, -48.43 | 71.41, 11.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9398 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.82, 177.23 | APE9-dihe-na | 70.05, 146.13 | APE8-dihe-in | -96.47, 160.58 | APE8-rot-in | 285.27 | APE67-dihe-inflip | 87.67, -29.95 | -51.57, 140.33 | APE12-dist-in | 13.0082 | APE11-dist-in | 11.0074 | APE10-dist-in | 6.0448 | APE9-dist-in | 3.156 | None | None | None | XRAY | 2.3 | 0.199 | 0.229 | B | 442.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr7 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-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 |
|---|