| 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 | 8U8AB | Q5S007 | 558 | 2526 | 2527.0 | 0LI:2601 | Type2 | Inactive | DFGout | 14.859 | 10.8454 | BBAminus | -150.37, 144.32 | -124.19, 97.68 | -69.79, -11.11 | 321.73, 111.63 | 66.57, 27.33 | in-out | in | 8.8739 | Saltbr-out | 3.6727 | HRD-out | -76.07, 95.41 | -48.17, -63.17 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 177.03 | APE8-dihe-in | -61.6, 136.03 | APE8-rot-in | 305.18 | APE67-dihe-in | -74.33, -25.33 | -56.72, -44.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.2972 | None | None | None | EM | 3.4 | 999.0 | 999.0 | B | 2527.0 | 1705.0 | 29 | 26 | 13 | 13 | [[1875, 2134]] | 1.0 | 8u8a | TKL_LRRK2_HUMAN | TKL | 3.8e-57 | 200.3 | 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 | 8U8AC | Q5S007 | 558 | 2526 | 2527.0 | 0LI:2601 | Type2 | Inactive | DFGout | 14.8696 | 10.8459 | BBAminus | -150.46, 144.31 | -124.23, 97.69 | -69.77, -11.06 | 321.78, 111.5 | 66.48, 27.35 | in-out | in | 8.8719 | Saltbr-out | 3.6608 | HRD-out | -76.02, 95.48 | -48.33, -63.13 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 177.01 | APE8-dihe-in | -61.57, 135.98 | APE8-rot-in | 305.14 | APE67-dihe-in | -74.37, -25.35 | -56.73, -44.17 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.3006 | None | None | None | EM | 3.4 | 999.0 | 999.0 | C | 2527.0 | 1705.0 | 29 | 26 | 13 | 13 | [[1875, 2134]] | 1.0 | 8u8a | TKL_LRRK2_HUMAN | TKL | 3.8e-57 | 200.3 | 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 | 8U8AB | Q5S007 | 558 | 2526 | 2527.0 | 0LI:2601 | Type2 | Inactive | DFGout | 14.859 | 10.8454 | BBAminus | -150.37, 144.32 | -124.19, 97.68 | -69.79, -11.11 | 321.73, 111.63 | 66.57, 27.33 | in-out | in | 8.8739 | Saltbr-out | 3.6727 | HRD-out | -76.07, 95.41 | -48.17, -63.17 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 177.03 | APE8-dihe-in | -61.6, 136.03 | APE8-rot-in | 305.18 | APE67-dihe-in | -74.33, -25.33 | -56.72, -44.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.2972 | None | None | None | EM | 3.4 | 999.0 | 999.0 | B | 2527.0 | 1705.0 | 29 | 26 | 13 | 13 | [[1875, 2134]] | 1.0 | 8u8a | Homo sapiens | TKL_LRRK2_HUMAN | TKL | 3.8e-57 | 200.3 | 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 | 8U8AC | Q5S007 | 558 | 2526 | 2527.0 | 0LI:2601 | Type2 | Inactive | DFGout | 14.8696 | 10.8459 | BBAminus | -150.46, 144.31 | -124.23, 97.69 | -69.77, -11.06 | 321.78, 111.5 | 66.48, 27.35 | in-out | in | 8.8719 | Saltbr-out | 3.6608 | HRD-out | -76.02, 95.48 | -48.33, -63.13 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 177.01 | APE8-dihe-in | -61.57, 135.98 | APE8-rot-in | 305.14 | APE67-dihe-in | -74.37, -25.35 | -56.73, -44.17 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 6.3006 | None | None | None | EM | 3.4 | 999.0 | 999.0 | C | 2527.0 | 1705.0 | 29 | 26 | 13 | 13 | [[1875, 2134]] | 1.0 | 8u8a | Homo sapiens | TKL_LRRK2_HUMAN | TKL | 3.8e-57 | 200.3 | 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 |
|---|