| 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 | 8VH5A | Q5S007 | 12 | 2527 | 2527.0 | ANP:2602 | ATPlike | Inactive | DFGinter | 9.7464 | 8.455 | None | -88.01, 106.84 | -81.35, 17.64 | -78.83, -10.5 | 197.42, 64.93 | -68.71, -22.79 | out-out | out | 11.3256 | Saltbr-out | 8.1229 | HRD-in | -105.05, -49.61 | 72.56, -5.72 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9614 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioi | APE10-dihe-na | -67.06, -23.38 | APE9-dihe-na | 73.72, 168.0 | APE8-dihe-in | -68.8, 143.98 | APE8-rot-out | 58.99 | APE67-dihe-in | -65.74, -54.3 | -73.05, -29.17 | APE12-dist-in | 9.6328 | APE11-dist-in | 8.4163 | APE10-dist-out | 13.3438 | APE9-dist-in | 3.8609 | None | None | None | EM | 4.0 | 999.0 | 999.0 | A | 2527.0 | 2221.0 | 8 | 26 | 18 | 8 | [[1875, 2134]] | 1.0 | 8vh5 | 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 | 8VH5C | Q5S007 | 12 | 2527 | 2527.0 | ANP:2602 | ATPlike | Inactive | DFGinter | 9.746 | 8.4552 | None | -88.01, 106.86 | -81.36, 17.7 | -78.84, -10.6 | 197.4, 64.92 | -68.66, -22.76 | out-out | out | 11.3253 | Saltbr-out | 8.1217 | HRD-in | -104.99, -49.63 | 72.52, -5.67 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9613 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioi | APE10-dihe-na | -66.98, -23.42 | APE9-dihe-na | 73.64, 168.02 | APE8-dihe-in | -68.73, 143.93 | APE8-rot-out | 59.0 | APE67-dihe-in | -65.76, -54.24 | -73.07, -29.13 | APE12-dist-in | 9.6328 | APE11-dist-in | 8.4176 | APE10-dist-out | 13.3446 | APE9-dist-in | 3.8618 | None | None | None | EM | 4.0 | 999.0 | 999.0 | C | 2527.0 | 2221.0 | 8 | 26 | 18 | 8 | [[1875, 2134]] | 1.0 | 8vh5 | 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 | 8VH5A | Q5S007 | 12 | 2527 | 2527.0 | ANP:2602 | ATPlike | Inactive | DFGinter | 9.7464 | 8.455 | None | -88.01, 106.84 | -81.35, 17.64 | -78.83, -10.5 | 197.42, 64.93 | -68.71, -22.79 | out-out | out | 11.3256 | Saltbr-out | 8.1229 | HRD-in | -105.05, -49.61 | 72.56, -5.72 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9614 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioi | APE10-dihe-na | -67.06, -23.38 | APE9-dihe-na | 73.72, 168.0 | APE8-dihe-in | -68.8, 143.98 | APE8-rot-out | 58.99 | APE67-dihe-in | -65.74, -54.3 | -73.05, -29.17 | APE12-dist-in | 9.6328 | APE11-dist-in | 8.4163 | APE10-dist-out | 13.3438 | APE9-dist-in | 3.8609 | None | None | None | EM | 4.0 | 999.0 | 999.0 | A | 2527.0 | 2221.0 | 8 | 26 | 18 | 8 | [[1875, 2134]] | 1.0 | 8vh5 | 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 | 8VH5C | Q5S007 | 12 | 2527 | 2527.0 | ANP:2602 | ATPlike | Inactive | DFGinter | 9.746 | 8.4552 | None | -88.01, 106.86 | -81.36, 17.7 | -78.84, -10.6 | 197.4, 64.92 | -68.66, -22.76 | out-out | out | 11.3253 | Saltbr-out | 8.1217 | HRD-in | -104.99, -49.63 | 72.52, -5.67 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9613 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioi | APE10-dihe-na | -66.98, -23.42 | APE9-dihe-na | 73.64, 168.02 | APE8-dihe-in | -68.73, 143.93 | APE8-rot-out | 59.0 | APE67-dihe-in | -65.76, -54.24 | -73.07, -29.13 | APE12-dist-in | 9.6328 | APE11-dist-in | 8.4176 | APE10-dist-out | 13.3446 | APE9-dist-in | 3.8618 | None | None | None | EM | 4.0 | 999.0 | 999.0 | C | 2527.0 | 2221.0 | 8 | 26 | 18 | 8 | [[1875, 2134]] | 1.0 | 8vh5 | 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 |
|---|