| 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 | 5KPMA | P49841 | 36 | 383 | 420.0 | 6VM:500 | Type1 | Active | DFGin | 7.1795 | 14.1524 | BLAminus | -127.54, 178.59 | 63.4, 85.66 | -102.69, 28.41 | 287.99, 66.47 | -62.48, -34.28 | in-in | in | 8.4058 | Saltbr-in | 2.6694 | HRD-in | -73.98, -45.27 | 60.61, 25.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7332 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.88, 162.98 | APE9-dihe-na | 64.81, 161.74 | APE8-dihe-in | -75.86, 141.16 | APE8-rot-in | 297.33 | APE67-dihe-in | -64.41, -17.12 | -48.06, -52.48 | APE12-dist-in | 13.62 | APE11-dist-in | 11.8384 | APE10-dist-in | 7.3632 | APE9-dist-in | 3.2615 | None | PTR216 | PTR216 | XRAY | 2.69 | 0.178 | 0.24 | A | 424.0 | 345.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5kpm | 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 | 5KPMB | P49841 | 36 | 384 | 420.0 | 6VM:500 | Type1 | Active | DFGin | 7.1408 | 14.6384 | BLAminus | -142.12, 178.63 | 60.71, 81.6 | -96.16, 22.05 | 281.72, 76.19 | -66.25, -7.91 | in-in | in | 8.6086 | Saltbr-in | 2.5806 | HRD-in | -65.22, -49.2 | 64.23, 7.63 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9931 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -157.34, 163.89 | APE9-dihe-na | 62.78, 158.8 | APE8-dihe-in | -77.09, 139.57 | APE8-rot-in | 302.93 | APE67-dihe-in | -64.17, -18.23 | -41.12, -52.04 | APE12-dist-in | 13.5592 | APE11-dist-in | 11.9721 | APE10-dist-in | 7.4703 | APE9-dist-in | 3.1928 | None | PTR216 | PTR216 | XRAY | 2.69 | 0.178 | 0.24 | B | 424.0 | 346.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5kpm | 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 | 5KPMA | P49841 | 36 | 383 | 420.0 | 6VM:500 | Type1 | Active | DFGin | 7.1795 | 14.1524 | BLAminus | -127.54, 178.59 | 63.4, 85.66 | -102.69, 28.41 | 287.99, 66.47 | -62.48, -34.28 | in-in | in | 8.4058 | Saltbr-in | 2.6694 | HRD-in | -73.98, -45.27 | 60.61, 25.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7332 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.88, 162.98 | APE9-dihe-na | 64.81, 161.74 | APE8-dihe-in | -75.86, 141.16 | APE8-rot-in | 297.33 | APE67-dihe-in | -64.41, -17.12 | -48.06, -52.48 | APE12-dist-in | 13.62 | APE11-dist-in | 11.8384 | APE10-dist-in | 7.3632 | APE9-dist-in | 3.2615 | None | PTR216 | PTR216 | XRAY | 2.69 | 0.178 | 0.24 | A | 424.0 | 345.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5kpm | 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 | 5KPMB | P49841 | 36 | 384 | 420.0 | 6VM:500 | Type1 | Active | DFGin | 7.1408 | 14.6384 | BLAminus | -142.12, 178.63 | 60.71, 81.6 | -96.16, 22.05 | 281.72, 76.19 | -66.25, -7.91 | in-in | in | 8.6086 | Saltbr-in | 2.5806 | HRD-in | -65.22, -49.2 | 64.23, 7.63 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9931 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -157.34, 163.89 | APE9-dihe-na | 62.78, 158.8 | APE8-dihe-in | -77.09, 139.57 | APE8-rot-in | 302.93 | APE67-dihe-in | -64.17, -18.23 | -41.12, -52.04 | APE12-dist-in | 13.5592 | APE11-dist-in | 11.9721 | APE10-dist-in | 7.4703 | APE9-dist-in | 3.1928 | None | PTR216 | PTR216 | XRAY | 2.69 | 0.178 | 0.24 | B | 424.0 | 346.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5kpm | 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 |
|---|