PDB: 8FO9 — TKL LRRK2_HUMAN

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 8FO9A
DFGinter None 1 25.0% 8FO9F
DFGout None 1 25.0% 8FO9E

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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 8FO9A Q5S007 1329 2527 2527.0 ATP:2602 ATPlike Active DFGin 6.2733 13.4102 BLAminus -138.23, -175.7 59.6, 64.71 -84.85, 53.99 305.84, 101.34 -78.49, -28.55 in-in in 7.8797 Saltbr-in 2.7348 HRD-in -107.83, -47.31 66.25, 1.81 in-in-in SNCiii in-in ActLoopNT-in 3.031 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.21, 156.34 APE9-dihe-na 139.24, 152.96 APE8-dihe-in -67.96, 127.7 APE8-rot-in 305.42 APE67-dihe-inflip 98.56, -16.69 -58.5, 136.92 APE12-dist-in 9.1834 APE11-dist-in 11.4868 APE10-dist-in 6.0039 APE9-dist-in 3.8159 None None None EM 3.48 999.0 999.0 A 2527.0 1173.0 0 26 26 0 [[1875, 2134]] 1.0 8fo9 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 8FO9C Q5S007 1329 2527 2527.0 ATP:2602 ATPlike Active DFGin 6.2753 13.4053 BLAminus -138.14, -175.77 59.5, 64.85 -84.95, 53.97 305.9, 101.31 -78.52, -28.52 in-in in 7.8828 Saltbr-in 2.7293 HRD-in -108.59, -47.2 66.33, 1.76 in-in-in SNCiii in-in ActLoopNT-in 3.008 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.94, 156.21 APE9-dihe-na 139.37, 152.96 APE8-dihe-in -67.92, 127.71 APE8-rot-in 305.58 APE67-dihe-inflip 98.46, -16.81 -58.61, 136.94 APE12-dist-in 9.1767 APE11-dist-in 11.5032 APE10-dist-in 6.012 APE9-dist-in 3.8041 None None None EM 3.48 999.0 999.0 C 2527.0 1173.0 0 26 26 0 [[1875, 2134]] 1.0 8fo9 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 8FO9F Q5S007 12 2527 2527.0 ATP:2602 ATPlike Inactive DFGinter 9.3478 8.5752 None -68.36, 152.72 -137.53, 18.95 -81.54, -22.77 187.88, 51.61 -70.19, -36.74 out-out out 11.2379 Saltbr-out 8.3264 HRD-in -76.93, -42.26 72.06, -11.17 out-out-out SNCooo out-out ActLoopNT-out 9.1058 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -70.82, -18.07 APE9-dihe-na 87.94, 175.98 APE8-dihe-in -63.48, 135.16 APE8-rot-in 300.23 APE67-dihe-in -66.37, -45.6 -58.88, -37.04 APE12-dist-in 9.7177 APE11-dist-in 10.5775 APE10-dist-out 14.122 APE9-dist-in 4.4728 None None None EM 3.48 999.0 999.0 F 2527.0 2289.0 3 26 23 3 [[1875, 2134]] 1.0 8fo9 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 8FO9E Q5S007 12 2527 2527.0 ATP:2602 ATPlike Inactive DFGout 11.3745 7.913 None -68.54, 152.71 -137.53, 21.65 -90.85, -9.64 146.2, 91.59 -82.02, -36.47 out-out out 11.1602 Saltbr-out 8.209 HRD-in -76.97, -42.35 72.15, -11.11 out-out-out SNCooo out-out ActLoopNT-out 9.123 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -70.77, -18.05 APE9-dihe-na 87.91, 175.95 APE8-dihe-in -63.49, 135.16 APE8-rot-in 300.24 APE67-dihe-in -66.44, -45.65 -58.78, -37.14 APE12-dist-in 9.6513 APE11-dist-in 10.5523 APE10-dist-out 14.083 APE9-dist-in 4.472 None None None EM 3.48 999.0 999.0 E 2527.0 2287.0 3 26 23 3 [[1875, 2134]] 1.0 8fo9 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

PDB: 8FO9 — TKL LRRK2_HUMAN

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 8FO9A
DFGinter None 1 25.0% 8FO9F
DFGout None 1 25.0% 8FO9E

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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 8FO9A Q5S007 1329 2527 2527.0 ATP:2602 ATPlike Active DFGin 6.2733 13.4102 BLAminus -138.23, -175.7 59.6, 64.71 -84.85, 53.99 305.84, 101.34 -78.49, -28.55 in-in in 7.8797 Saltbr-in 2.7348 HRD-in -107.83, -47.31 66.25, 1.81 in-in-in SNCiii in-in ActLoopNT-in 3.031 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.21, 156.34 APE9-dihe-na 139.24, 152.96 APE8-dihe-in -67.96, 127.7 APE8-rot-in 305.42 APE67-dihe-inflip 98.56, -16.69 -58.5, 136.92 APE12-dist-in 9.1834 APE11-dist-in 11.4868 APE10-dist-in 6.0039 APE9-dist-in 3.8159 None None None EM 3.48 999.0 999.0 A 2527.0 1173.0 0 26 26 0 [[1875, 2134]] 1.0 8fo9 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 8FO9C Q5S007 1329 2527 2527.0 ATP:2602 ATPlike Active DFGin 6.2753 13.4053 BLAminus -138.14, -175.77 59.5, 64.85 -84.95, 53.97 305.9, 101.31 -78.52, -28.52 in-in in 7.8828 Saltbr-in 2.7293 HRD-in -108.59, -47.2 66.33, 1.76 in-in-in SNCiii in-in ActLoopNT-in 3.008 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.94, 156.21 APE9-dihe-na 139.37, 152.96 APE8-dihe-in -67.92, 127.71 APE8-rot-in 305.58 APE67-dihe-inflip 98.46, -16.81 -58.61, 136.94 APE12-dist-in 9.1767 APE11-dist-in 11.5032 APE10-dist-in 6.012 APE9-dist-in 3.8041 None None None EM 3.48 999.0 999.0 C 2527.0 1173.0 0 26 26 0 [[1875, 2134]] 1.0 8fo9 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 8FO9F Q5S007 12 2527 2527.0 ATP:2602 ATPlike Inactive DFGinter 9.3478 8.5752 None -68.36, 152.72 -137.53, 18.95 -81.54, -22.77 187.88, 51.61 -70.19, -36.74 out-out out 11.2379 Saltbr-out 8.3264 HRD-in -76.93, -42.26 72.06, -11.17 out-out-out SNCooo out-out ActLoopNT-out 9.1058 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -70.82, -18.07 APE9-dihe-na 87.94, 175.98 APE8-dihe-in -63.48, 135.16 APE8-rot-in 300.23 APE67-dihe-in -66.37, -45.6 -58.88, -37.04 APE12-dist-in 9.7177 APE11-dist-in 10.5775 APE10-dist-out 14.122 APE9-dist-in 4.4728 None None None EM 3.48 999.0 999.0 F 2527.0 2289.0 3 26 23 3 [[1875, 2134]] 1.0 8fo9 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 8FO9E Q5S007 12 2527 2527.0 ATP:2602 ATPlike Inactive DFGout 11.3745 7.913 None -68.54, 152.71 -137.53, 21.65 -90.85, -9.64 146.2, 91.59 -82.02, -36.47 out-out out 11.1602 Saltbr-out 8.209 HRD-in -76.97, -42.35 72.15, -11.11 out-out-out SNCooo out-out ActLoopNT-out 9.123 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -70.77, -18.05 APE9-dihe-na 87.91, 175.95 APE8-dihe-in -63.49, 135.16 APE8-rot-in 300.24 APE67-dihe-in -66.44, -45.65 -58.78, -37.14 APE12-dist-in 9.6513 APE11-dist-in 10.5523 APE10-dist-out 14.083 APE9-dist-in 4.472 None None None EM 3.48 999.0 999.0 E 2527.0 2287.0 3 26 23 3 [[1875, 2134]] 1.0 8fo9 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

PDB: 8FO9 — TKL LRRK2_HUMAN

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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