| 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 | 7LHTA | Q5S007 | 558 | 2527 | 2527.0 | ATP:2602 | ATPlike | Inactive | DFGinter | 9.8435 | 8.2947 | None | -64.84, 122.35 | -98.75, -0.04 | -71.37, -28.28 | 172.84, 65.91 | -59.04, -42.88 | out-out | out | 11.1561 | Saltbr-out | 7.8414 | HRD-in | -69.75, -40.92 | 72.72, -9.61 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.7836 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -82.21, -17.19 | APE9-dihe-na | 90.26, 154.46 | APE8-dihe-in | -57.7, 141.99 | APE8-rot-in | 318.57 | APE67-dihe-in | -63.97, -43.36 | -55.36, -52.39 | APE12-dist-in | 9.6726 | APE11-dist-in | 10.1449 | APE10-dist-out | 14.0961 | APE9-dist-in | 4.0969 | None | None | None | EM | 3.5 | 999.0 | 999.0 | A | 2527.0 | 1795.0 | 3 | 26 | 23 | 3 | [[1875, 2134]] | 1.0 | 7lht | 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 | 7LHTB | Q5S007 | 558 | 2527 | 2527.0 | ATP:2602 | ATPlike | Inactive | DFGinter | 9.8435 | 8.2947 | None | -64.86, 122.35 | -98.72, -0.04 | -71.37, -28.3 | 172.84, 65.9 | -59.09, -42.88 | out-out | out | 11.1564 | Saltbr-out | 7.8415 | HRD-in | -69.81, -40.92 | 72.73, -9.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.783 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -82.22, -17.15 | APE9-dihe-na | 90.23, 154.47 | APE8-dihe-in | -57.69, 142.03 | APE8-rot-in | 318.55 | APE67-dihe-in | -64.0, -43.36 | -55.37, -52.4 | APE12-dist-in | 9.6725 | APE11-dist-in | 10.1447 | APE10-dist-out | 14.096 | APE9-dist-in | 4.0969 | None | None | None | EM | 3.5 | 999.0 | 999.0 | B | 2527.0 | 1795.0 | 3 | 26 | 23 | 3 | [[1875, 2134]] | 1.0 | 7lht | 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 | 7LHTA | Q5S007 | 558 | 2527 | 2527.0 | ATP:2602 | ATPlike | Inactive | DFGinter | 9.8435 | 8.2947 | None | -64.84, 122.35 | -98.75, -0.04 | -71.37, -28.28 | 172.84, 65.91 | -59.04, -42.88 | out-out | out | 11.1561 | Saltbr-out | 7.8414 | HRD-in | -69.75, -40.92 | 72.72, -9.61 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.7836 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -82.21, -17.19 | APE9-dihe-na | 90.26, 154.46 | APE8-dihe-in | -57.7, 141.99 | APE8-rot-in | 318.57 | APE67-dihe-in | -63.97, -43.36 | -55.36, -52.39 | APE12-dist-in | 9.6726 | APE11-dist-in | 10.1449 | APE10-dist-out | 14.0961 | APE9-dist-in | 4.0969 | None | None | None | EM | 3.5 | 999.0 | 999.0 | A | 2527.0 | 1795.0 | 3 | 26 | 23 | 3 | [[1875, 2134]] | 1.0 | 7lht | 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 | 7LHTB | Q5S007 | 558 | 2527 | 2527.0 | ATP:2602 | ATPlike | Inactive | DFGinter | 9.8435 | 8.2947 | None | -64.86, 122.35 | -98.72, -0.04 | -71.37, -28.3 | 172.84, 65.9 | -59.09, -42.88 | out-out | out | 11.1564 | Saltbr-out | 7.8415 | HRD-in | -69.81, -40.92 | 72.73, -9.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.783 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -82.22, -17.15 | APE9-dihe-na | 90.23, 154.47 | APE8-dihe-in | -57.69, 142.03 | APE8-rot-in | 318.55 | APE67-dihe-in | -64.0, -43.36 | -55.37, -52.4 | APE12-dist-in | 9.6725 | APE11-dist-in | 10.1447 | APE10-dist-out | 14.096 | APE9-dist-in | 4.0969 | None | None | None | EM | 3.5 | 999.0 | 999.0 | B | 2527.0 | 1795.0 | 3 | 26 | 23 | 3 | [[1875, 2134]] | 1.0 | 7lht | 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 |
|---|