| 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 | LRRK1 | LRRK1_HUMAN | 8E05A | Q38SD2 | 51 | 2007 | 2015.0 | No_ligand | No_ligand | Inactive | DFGout | 13.3736 | 7.7237 | None | -103.26, 177.93 | -99.35, 12.24 | -151.58, 158.82 | 75.57, 110.81 | -101.9, 160.93 | in-in | in | 7.8104 | Saltbr-in | 3.5043 | HRD-in | -82.61, -60.64 | 74.36, -4.12 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | EM | 4.6 | 999.0 | 999.0 | A | 2016.0 | 1749.0 | 33 | 26 | 4 | 22 | [[1238, 1522]] | 1.0 | 8e05 | TKL_LRRK1_HUMAN | TKL | 9.6e-72 | 248.1 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| TKL | LRRK1 | LRRK1_HUMAN | 8E05B | Q38SD2 | 51 | 2007 | 2015.0 | No_ligand | No_ligand | Inactive | DFGout | 13.3743 | 7.7242 | None | -103.31, 177.92 | -99.34, 12.26 | -151.59, 158.83 | 75.53, 110.84 | -101.91, 160.9 | in-in | in | 7.8101 | Saltbr-in | 3.5047 | HRD-in | -82.6, -60.76 | 74.44, -4.15 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | EM | 4.6 | 999.0 | 999.0 | B | 2016.0 | 1749.0 | 33 | 26 | 4 | 22 | [[1238, 1522]] | 1.0 | 8e05 | TKL_LRRK1_HUMAN | TKL | 9.6e-72 | 248.1 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| 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 | LRRK1 | LRRK1_HUMAN | 8E05A | Q38SD2 | 51 | 2007 | 2015.0 | No_ligand | No_ligand | Inactive | DFGout | 13.3736 | 7.7237 | None | -103.26, 177.93 | -99.35, 12.24 | -151.58, 158.82 | 75.57, 110.81 | -101.9, 160.93 | in-in | in | 7.8104 | Saltbr-in | 3.5043 | HRD-in | -82.61, -60.64 | 74.36, -4.12 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | EM | 4.6 | 999.0 | 999.0 | A | 2016.0 | 1749.0 | 33 | 26 | 4 | 22 | [[1238, 1522]] | 1.0 | 8e05 | Homo sapiens | TKL_LRRK1_HUMAN | TKL | 9.6e-72 | 248.1 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| TKL | LRRK1 | LRRK1_HUMAN | 8E05B | Q38SD2 | 51 | 2007 | 2015.0 | No_ligand | No_ligand | Inactive | DFGout | 13.3743 | 7.7242 | None | -103.31, 177.92 | -99.34, 12.26 | -151.59, 158.83 | 75.53, 110.84 | -101.91, 160.9 | in-in | in | 7.8101 | Saltbr-in | 3.5047 | HRD-in | -82.6, -60.76 | 74.44, -4.15 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | EM | 4.6 | 999.0 | 999.0 | B | 2016.0 | 1749.0 | 33 | 26 | 4 | 22 | [[1238, 1522]] | 1.0 | 8e05 | Homo sapiens | TKL_LRRK1_HUMAN | TKL | 9.6e-72 | 248.1 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| 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 |
|---|