| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Gene | 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 |
|---|
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GSK3 | A4HXQ3_LEIIN | 7S6UA | A4HXQ3 | 1 | 353 | 355.0 | FB8:401 | Type1 | Inactive | DFGin | 6.761 | 14.0145 | BLAminus | -139.61, -164.97 | 65.25, 65.69 | -95.51, 21.7 | 299.47, 94.31 | -60.21, -32.44 | in-in | in | 8.3294 | Saltbr-in | 2.8017 | HRD-in | -70.31, -44.47 | 65.55, 8.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9425 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -119.0, 166.74 | APE9-dihe-na | 84.7, 154.19 | APE8-dihe-in | -74.92, 140.06 | APE8-rot-out | 204.39 | APE67-dihe-in | -68.68, -21.33 | -49.76, -38.05 | APE12-dist-in | 13.0724 | APE11-dist-in | 11.5969 | APE10-dist-in | 6.3641 | APE9-dist-in | 3.3114 | None | PTR186 | PTR186 | XRAY | 1.74 | 0.175 | 0.2 | A | 356.0 | 351.0 | 2 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 7s6u | Leishmania infantum | CMGC_GSK3_LEIIN | CMGC | 2.1e-63 | 220.5 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Glycogen synthase kinase 3 |
| GSK3 | A4HXQ3_LEIIN | 7S6VA | A4HXQ3 | 1 | 353 | 355.0 | 8II:401 | Type1 | Inactive | DFGin | 6.8571 | 14.1863 | BLAminus | -144.76, -177.73 | 75.59, 66.95 | -92.98, 18.31 | 299.71, 93.39 | -56.56, -31.86 | in-in | in | 8.487 | Saltbr-in | 3.4844 | HRD-in | -66.49, -47.42 | 74.03, -4.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.987 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -137.88, 164.04 | APE9-dihe-na | 78.2, 158.59 | APE8-dihe-in | -81.09, 139.95 | APE8-rot-out | 196.43 | APE67-dihe-in | -67.1, -15.84 | -49.32, -44.52 | APE12-dist-in | 12.8465 | APE11-dist-in | 11.5187 | APE10-dist-in | 6.7323 | APE9-dist-in | 3.2137 | None | PTR186 | PTR186 | XRAY | 1.66 | 0.185 | 0.215 | A | 356.0 | 345.0 | 8 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 7s6v | Leishmania infantum | CMGC_GSK3_LEIIN | CMGC | 2.1e-63 | 220.5 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Glycogen synthase kinase 3 |
| GSK3 | Q4QE15_LEIMA | 3E3PB | Q4QE15 | 7 | 353 | 355.0 | No_ligand | No_ligand | Active | DFGin | 7.3406 | 14.1712 | BLAminus | -126.72, -174.48 | 60.15, 68.06 | -82.03, 31.27 | 291.4, 80.36 | -62.77, -34.23 | in-in | in | 7.9859 | Saltbr-in | 2.4788 | HRD-in | -77.42, -44.31 | 73.62, -4.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8799 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -61.41, -44.35 | APE9-dihe-na | -71.94, 129.38 | APE8-dihe-in | -56.5, 142.42 | APE8-rot-in | 311.94 | APE67-dihe-in | -63.53, -21.0 | -56.12, -48.42 | APE12-dist-in | 11.7302 | APE11-dist-in | 10.4143 | APE10-dist-in | 4.8735 | APE9-dist-in | 2.9783 | None | None | None | XRAY | 2.0 | 0.226 | 0.271 | B | 360.0 | 337.0 | 10 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 3e3p | Leishmania major | CMGC_GSK3_LEIMA | CMGC | 9.3e-64 | 221.6 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Putative glycogen synthase kinase |
| GSK3 | Q4QE15_LEIMA | 3E3PA | Q4QE15 | 7 | 353 | 355.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1666 | 13.8791 | BLAminus | -128.99, -178.11 | 60.98, 80.37 | -93.78, 26.64 | 291.97, 73.1 | -69.31, -7.19 | in-out | in | 7.506 | Saltbr-out | 3.6447 | HRD-in | -65.43, -48.98 | 74.14, 2.57 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9718 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -64.96, -25.59 | APE9-dihe-na | -81.93, 131.56 | APE8-dihe-in | -56.92, 141.17 | APE8-rot-in | 301.1 | APE67-dihe-in | -60.54, -20.67 | -58.78, -47.26 | APE12-dist-in | 11.8353 | APE11-dist-in | 10.5165 | APE10-dist-in | 4.8468 | APE9-dist-in | 3.0835 | None | None | None | XRAY | 2.0 | 0.226 | 0.271 | A | 360.0 | 337.0 | 10 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 3e3p | Leishmania major | CMGC_GSK3_LEIMA | CMGC | 9.3e-64 | 221.6 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Putative glycogen synthase kinase |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GSK3 | A4HXQ3_LEIIN | 7S6UA | A4HXQ3 | 1 | 353 | 355.0 | FB8:401 | Type1 | Inactive | DFGin | 6.761 | 14.0145 | BLAminus | -139.61, -164.97 | 65.25, 65.69 | -95.51, 21.7 | 299.47, 94.31 | -60.21, -32.44 | in-in | in | 8.3294 | Saltbr-in | 2.8017 | HRD-in | -70.31, -44.47 | 65.55, 8.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9425 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -119.0, 166.74 | APE9-dihe-na | 84.7, 154.19 | APE8-dihe-in | -74.92, 140.06 | APE8-rot-out | 204.39 | APE67-dihe-in | -68.68, -21.33 | -49.76, -38.05 | APE12-dist-in | 13.0724 | APE11-dist-in | 11.5969 | APE10-dist-in | 6.3641 | APE9-dist-in | 3.3114 | None | PTR186 | PTR186 | XRAY | 1.74 | 0.175 | 0.2 | A | 356.0 | 351.0 | 2 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 7s6u | Leishmania infantum | CMGC_GSK3_LEIIN | CMGC | 2.1e-63 | 220.5 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Glycogen synthase kinase 3 |
| GSK3 | A4HXQ3_LEIIN | 7S6VA | A4HXQ3 | 1 | 353 | 355.0 | 8II:401 | Type1 | Inactive | DFGin | 6.8571 | 14.1863 | BLAminus | -144.76, -177.73 | 75.59, 66.95 | -92.98, 18.31 | 299.71, 93.39 | -56.56, -31.86 | in-in | in | 8.487 | Saltbr-in | 3.4844 | HRD-in | -66.49, -47.42 | 74.03, -4.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.987 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -137.88, 164.04 | APE9-dihe-na | 78.2, 158.59 | APE8-dihe-in | -81.09, 139.95 | APE8-rot-out | 196.43 | APE67-dihe-in | -67.1, -15.84 | -49.32, -44.52 | APE12-dist-in | 12.8465 | APE11-dist-in | 11.5187 | APE10-dist-in | 6.7323 | APE9-dist-in | 3.2137 | None | PTR186 | PTR186 | XRAY | 1.66 | 0.185 | 0.215 | A | 356.0 | 345.0 | 8 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 7s6v | Leishmania infantum | CMGC_GSK3_LEIIN | CMGC | 2.1e-63 | 220.5 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Glycogen synthase kinase 3 |
| GSK3 | Q4QE15_LEIMA | 3E3PB | Q4QE15 | 7 | 353 | 355.0 | No_ligand | No_ligand | Active | DFGin | 7.3406 | 14.1712 | BLAminus | -126.72, -174.48 | 60.15, 68.06 | -82.03, 31.27 | 291.4, 80.36 | -62.77, -34.23 | in-in | in | 7.9859 | Saltbr-in | 2.4788 | HRD-in | -77.42, -44.31 | 73.62, -4.38 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8799 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -61.41, -44.35 | APE9-dihe-na | -71.94, 129.38 | APE8-dihe-in | -56.5, 142.42 | APE8-rot-in | 311.94 | APE67-dihe-in | -63.53, -21.0 | -56.12, -48.42 | APE12-dist-in | 11.7302 | APE11-dist-in | 10.4143 | APE10-dist-in | 4.8735 | APE9-dist-in | 2.9783 | None | None | None | XRAY | 2.0 | 0.226 | 0.271 | B | 360.0 | 337.0 | 10 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 3e3p | Leishmania major | CMGC_GSK3_LEIMA | CMGC | 9.3e-64 | 221.6 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Putative glycogen synthase kinase |
| GSK3 | Q4QE15_LEIMA | 3E3PA | Q4QE15 | 7 | 353 | 355.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1666 | 13.8791 | BLAminus | -128.99, -178.11 | 60.98, 80.37 | -93.78, 26.64 | 291.97, 73.1 | -69.31, -7.19 | in-out | in | 7.506 | Saltbr-out | 3.6447 | HRD-in | -65.43, -48.98 | 74.14, 2.57 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9718 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -64.96, -25.59 | APE9-dihe-na | -81.93, 131.56 | APE8-dihe-in | -56.92, 141.17 | APE8-rot-in | 301.1 | APE67-dihe-in | -60.54, -20.67 | -58.78, -47.26 | APE12-dist-in | 11.8353 | APE11-dist-in | 10.5165 | APE10-dist-in | 4.8468 | APE9-dist-in | 3.0835 | None | None | None | XRAY | 2.0 | 0.226 | 0.271 | A | 360.0 | 337.0 | 10 | 27 | 27 | 0 | [[20, 313]] | 1.0 | 3e3p | Leishmania major | CMGC_GSK3_LEIMA | CMGC | 9.3e-64 | 221.6 | 1.0 | 301.0 | 301.0 | 169 | 170 | 171 | 173 | 175 | 49 | 61 | 65 | 148 | 150 | 149 | 151.0 | 209 | 196 | 191 | 190 | 189 | 188 | 187 | 186 | 185 | 101 | Putative glycogen synthase kinase |