| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | LRRK2 | LRRK2_HUMAN | AF-Q5S007-K1A | Q5S007 | 1867 | 2142 | 2527.0 | No_ligand | No_ligand | Active | DFGin | 6.2289 | 13.0184 | BLAminus | -123.42, -177.15 | 48.16, 92.04 | -100.88, 18.77 | 306.82, 91.94 | -55.24, -29.66 | in-in | in | 8.5226 | Saltbr-in | 2.7409 | HRD-in | -79.01, -43.93 | 67.99, -8.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8557 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -69.22, 143.85 | APE9-dihe-na | 143.4, 155.54 | APE8-dihe-in | -77.65, 123.56 | APE8-rot-in | 291.78 | APE67-dihe-inflip | 80.21, 1.47 | -53.68, 143.02 | APE12-dist-in | 9.0778 | APE11-dist-in | 11.7091 | APE10-dist-in | 5.6489 | APE9-dist-in | 3.3733 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 26 | 26 | 0 | [[1875, 2134]] | 1.0 | AF-Q5S007-K1 | TKL_LRRK2_HUMAN | TKL | 3.4e-59 | 206.4 | 5.0 | 266.0 | 262.0 | 2016 | 2017 | 2018 | 2020 | 2022 | 1906 | 1920 | 1924 | 1991 | 1993 | 1992 | 1994.0 | 2055 | 2042 | 2037 | 2036 | 2035 | 2034 | 2033 | 2032 | 2031 | 1948 | Leucine-rich repeat serine/threonine-protein kinase 2 |
| TKL | LRRK2 | LRRK2_HUMAN | AF-Q5S007-K3A | Q5S007 | 1867 | 2142 | 2527.0 | No_ligand | No_ligand | Active | DFGin | 6.328 | 13.3987 | BLAminus | -133.98, -172.94 | 51.72, 69.61 | -85.29, 16.73 | 308.68, 103.46 | -56.98, -31.93 | in-in | in | 8.3926 | Saltbr-in | 2.7668 | HRD-in | -86.23, -45.15 | 69.51, -3.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8818 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.61, 122.15 | APE9-dihe-na | 162.76, 154.5 | APE8-dihe-in | -73.2, 129.38 | APE8-rot-in | 298.65 | APE67-dihe-inflip | 69.21, 15.98 | -53.32, 138.33 | APE12-dist-in | 9.2299 | APE11-dist-in | 11.9129 | APE10-dist-in | 5.9109 | APE9-dist-in | 3.4313 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 26 | 26 | 0 | [[1875, 2134]] | 1.0 | AF-Q5S007-K3 | TKL_LRRK2_HUMAN | TKL | 3.4e-59 | 206.4 | 5.0 | 266.0 | 262.0 | 2016 | 2017 | 2018 | 2020 | 2022 | 1906 | 1920 | 1924 | 1991 | 1993 | 1992 | 1994.0 | 2055 | 2042 | 2037 | 2036 | 2035 | 2034 | 2033 | 2032 | 2031 | 1948 | Leucine-rich repeat serine/threonine-protein kinase 2 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | LRRK2 | LRRK2_HUMAN | AF-Q5S007-K1A | Q5S007 | 1867 | 2142 | 2527.0 | No_ligand | No_ligand | Active | DFGin | 6.2289 | 13.0184 | BLAminus | -123.42, -177.15 | 48.16, 92.04 | -100.88, 18.77 | 306.82, 91.94 | -55.24, -29.66 | in-in | in | 8.5226 | Saltbr-in | 2.7409 | HRD-in | -79.01, -43.93 | 67.99, -8.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8557 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -69.22, 143.85 | APE9-dihe-na | 143.4, 155.54 | APE8-dihe-in | -77.65, 123.56 | APE8-rot-in | 291.78 | APE67-dihe-inflip | 80.21, 1.47 | -53.68, 143.02 | APE12-dist-in | 9.0778 | APE11-dist-in | 11.7091 | APE10-dist-in | 5.6489 | APE9-dist-in | 3.3733 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 26 | 26 | 0 | [[1875, 2134]] | 1.0 | AF-Q5S007-K1 | Homo sapiens | TKL_LRRK2_HUMAN | TKL | 3.4e-59 | 206.4 | 5.0 | 266.0 | 262.0 | 2016 | 2017 | 2018 | 2020 | 2022 | 1906 | 1920 | 1924 | 1991 | 1993 | 1992 | 1994.0 | 2055 | 2042 | 2037 | 2036 | 2035 | 2034 | 2033 | 2032 | 2031 | 1948 | Leucine-rich repeat serine/threonine-protein kinase 2 |
| TKL | LRRK2 | LRRK2_HUMAN | AF-Q5S007-K3A | Q5S007 | 1867 | 2142 | 2527.0 | No_ligand | No_ligand | Active | DFGin | 6.328 | 13.3987 | BLAminus | -133.98, -172.94 | 51.72, 69.61 | -85.29, 16.73 | 308.68, 103.46 | -56.98, -31.93 | in-in | in | 8.3926 | Saltbr-in | 2.7668 | HRD-in | -86.23, -45.15 | 69.51, -3.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8818 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.61, 122.15 | APE9-dihe-na | 162.76, 154.5 | APE8-dihe-in | -73.2, 129.38 | APE8-rot-in | 298.65 | APE67-dihe-inflip | 69.21, 15.98 | -53.32, 138.33 | APE12-dist-in | 9.2299 | APE11-dist-in | 11.9129 | APE10-dist-in | 5.9109 | APE9-dist-in | 3.4313 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 26 | 26 | 0 | [[1875, 2134]] | 1.0 | AF-Q5S007-K3 | Homo sapiens | TKL_LRRK2_HUMAN | TKL | 3.4e-59 | 206.4 | 5.0 | 266.0 | 262.0 | 2016 | 2017 | 2018 | 2020 | 2022 | 1906 | 1920 | 1924 | 1991 | 1993 | 1992 | 1994.0 | 2055 | 2042 | 2037 | 2036 | 2035 | 2034 | 2033 | 2032 | 2031 | 1948 | Leucine-rich repeat serine/threonine-protein kinase 2 |
| 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 |
|---|