Ligand: A1N

Total number of chains: 6
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 66.7% 8TZGA
DFGin None 2 33.3% 8TZHA

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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
CAMK CHEK1 CHK1_HUMAN 5OPBA O14757 5 271 476.0 A1N:301 Type1 Active DFGin 6.928 13.6311 BLAminus -127.5, 170.57 73.1, 96.55 -104.05, 19.63 293.23, 83.02 -63.66, -29.12 in-in in 8.49 Saltbr-in 3.041 HRD-in -78.76, -48.56 80.79, -4.96 in-in-in SNCiii in-in ActLoopNT-in 2.9573 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.16, 173.26 APE9-dihe-na 113.85, -143.9 APE8-dihe-in -134.72, 122.47 APE8-rot-in 308.74 APE67-dihe-in -59.7, -23.28 -50.86, -47.55 APE12-dist-in 9.3763 APE11-dist-in 11.6648 APE10-dist-in 6.2329 APE9-dist-in 3.5795 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.55 0.165 0.189 A 297.0 262.0 5 30 30 0 [[9, 265]] 1.0 5opb CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
TKL LRRK2 LRRK2_HUMAN 8TXZA Q5S007 1334 2522 2527.0 A1N:2601 Type1 Active DFGin 5.902 13.0948 BLAminus -119.85, -169.49 50.07, 80.97 -87.42, 36.51 309.72, 108.58 -60.32, -41.76 in-in in 8.2367 Saltbr-in 2.6912 HRD-in -80.74, -21.83 59.24, -43.27 in-in-in SNCiii in-in ActLoopNT-in 3.0983 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.73, 163.14 APE9-dihe-na 133.8, 147.92 APE8-dihe-in -71.53, 133.95 APE8-rot-in 307.22 APE67-dihe-inflip 87.19, -6.79 -58.87, 140.06 APE12-dist-in 9.3457 APE11-dist-in 10.9548 APE10-dist-in 5.5272 APE9-dist-in 4.2857 None None None EM 3.05 999.0 999.0 A 1194.0 858.0 2 26 26 0 [[1875, 2134]] 1.0 8txz TKL_LRRK2_HUMAN TKL 1.3e-57 201.7 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 8TZGA Q5S007 1333 2522 2527.0 A1N:2601 Type1 Inactive DFGin 6.3599 13.2865 BLAminus -134.51, -172.26 58.22, 65.93 -89.73, 27.97 304.01, 111.0 -72.25, -10.98 in-out in 8.0479 Saltbr-out 4.6418 HRD-in -83.84, -36.4 70.02, -7.06 out-in-in SNCoii in-in ActLoopNT-in 2.9835 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.38, 154.59 APE9-dihe-na 133.01, 150.21 APE8-dihe-in -76.98, 130.91 APE8-rot-in 304.9 APE67-dihe-inflip 102.2, -9.16 -57.75, 128.19 APE12-dist-in 9.9536 APE11-dist-in 11.0137 APE10-dist-in 5.2931 APE9-dist-in 3.5709 I2020T None None EM 2.7 999.0 999.0 A 1190.0 906.0 2 26 26 0 [[1875, 2134]] 1.0 8tzg TKL_LRRK2_HUMAN TKL 2.3e-57 200.9 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 8TZCA Q5S007 1333 2522 2527.0 A1N:2601 Type1 Active DFGin 6.0408 13.1072 BLAminus -134.37, -169.11 59.32, 67.24 -87.67, 29.16 308.05, 110.26 -61.86, -42.21 in-in in 8.1259 Saltbr-in 2.6349 HRD-in -84.6, -55.91 75.29, -7.67 in-in-in SNCiii in-in ActLoopNT-in 3.233 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.26, 150.23 APE9-dihe-na 145.44, 148.58 APE8-dihe-in -73.74, 131.69 APE8-rot-in 285.07 APE67-dihe-inflip 88.6, -3.69 -59.24, 141.32 APE12-dist-in 9.0561 APE11-dist-in 11.2243 APE10-dist-in 5.5315 APE9-dist-in 3.5704 G2019S None None EM 2.7 999.0 999.0 A 1195.0 872.0 9 26 26 0 [[1875, 2134]] 1.0 8tzc TKL_LRRK2_HUMAN TKL 1.3e-56 198.4 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 8TZHA Q5S007 627 2522 2527.0 A1N:2601 Type1 Inactive DFGin 5.1887 13.0236 None -82.7, -162.66 -41.82, 136.94 -146.23, 112.92 28.36, 40.7 -50.64, 999.0 in-out in 9.2107 Saltbr-out 4.5645 HRD-in -114.23, -59.07 54.02, 31.73 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -53.84 APE8-dihe-in -145.38, 140.36 APE8-rot-in 326.06 APE67-dihe-in -90.26, -10.83 -64.13, -43.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 5.2169 None None None EM 3.9 999.0 999.0 A 2527.0 1485.0 21 26 12 14 [[1875, 2134]] 1.0 8tzh 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 9CHOA Q5S007 543 2527 2527.0 A1N:2701 Type1 Inactive DFGin 6.0139 12.2545 None -87.37, -156.77 -42.12, 141.81 -109.94, -179.33 314.03, 99.42 -59.72, 999.0 in-out in 9.1584 Saltbr-out 5.5545 HRD-in -73.99, -50.39 47.44, 27.45 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -45.86 APE8-dihe-in -153.53, 148.49 APE8-rot-in 317.08 APE67-dihe-in -67.05, -9.98 -58.64, -41.45 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 5.7475 I2020T None None EM 7.8 999.0 999.0 A 1985.0 1792.0 21 26 12 14 [[1875, 2134]] 1.0 9cho TKL_LRRK2_HUMAN TKL 4.9e-57 199.8 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

Ligand: A1N

Total number of chains: 6
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 66.7% 8TZGA
DFGin None 2 33.3% 8TZHA

Hover over column headers for tooltip help.

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
CAMK CHEK1 CHK1_HUMAN 5OPBA O14757 5 271 476.0 A1N:301 Type1 Active DFGin 6.928 13.6311 BLAminus -127.5, 170.57 73.1, 96.55 -104.05, 19.63 293.23, 83.02 -63.66, -29.12 in-in in 8.49 Saltbr-in 3.041 HRD-in -78.76, -48.56 80.79, -4.96 in-in-in SNCiii in-in ActLoopNT-in 2.9573 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.16, 173.26 APE9-dihe-na 113.85, -143.9 APE8-dihe-in -134.72, 122.47 APE8-rot-in 308.74 APE67-dihe-in -59.7, -23.28 -50.86, -47.55 APE12-dist-in 9.3763 APE11-dist-in 11.6648 APE10-dist-in 6.2329 APE9-dist-in 3.5795 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.55 0.165 0.189 A 297.0 262.0 5 30 30 0 [[9, 265]] 1.0 5opb Homo sapiens CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
TKL LRRK2 LRRK2_HUMAN 8TXZA Q5S007 1334 2522 2527.0 A1N:2601 Type1 Active DFGin 5.902 13.0948 BLAminus -119.85, -169.49 50.07, 80.97 -87.42, 36.51 309.72, 108.58 -60.32, -41.76 in-in in 8.2367 Saltbr-in 2.6912 HRD-in -80.74, -21.83 59.24, -43.27 in-in-in SNCiii in-in ActLoopNT-in 3.0983 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.73, 163.14 APE9-dihe-na 133.8, 147.92 APE8-dihe-in -71.53, 133.95 APE8-rot-in 307.22 APE67-dihe-inflip 87.19, -6.79 -58.87, 140.06 APE12-dist-in 9.3457 APE11-dist-in 10.9548 APE10-dist-in 5.5272 APE9-dist-in 4.2857 None None None EM 3.05 999.0 999.0 A 1194.0 858.0 2 26 26 0 [[1875, 2134]] 1.0 8txz Homo sapiens TKL_LRRK2_HUMAN TKL 1.3e-57 201.7 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 8TZGA Q5S007 1333 2522 2527.0 A1N:2601 Type1 Inactive DFGin 6.3599 13.2865 BLAminus -134.51, -172.26 58.22, 65.93 -89.73, 27.97 304.01, 111.0 -72.25, -10.98 in-out in 8.0479 Saltbr-out 4.6418 HRD-in -83.84, -36.4 70.02, -7.06 out-in-in SNCoii in-in ActLoopNT-in 2.9835 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.38, 154.59 APE9-dihe-na 133.01, 150.21 APE8-dihe-in -76.98, 130.91 APE8-rot-in 304.9 APE67-dihe-inflip 102.2, -9.16 -57.75, 128.19 APE12-dist-in 9.9536 APE11-dist-in 11.0137 APE10-dist-in 5.2931 APE9-dist-in 3.5709 I2020T None None EM 2.7 999.0 999.0 A 1190.0 906.0 2 26 26 0 [[1875, 2134]] 1.0 8tzg Homo sapiens TKL_LRRK2_HUMAN TKL 2.3e-57 200.9 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 8TZCA Q5S007 1333 2522 2527.0 A1N:2601 Type1 Active DFGin 6.0408 13.1072 BLAminus -134.37, -169.11 59.32, 67.24 -87.67, 29.16 308.05, 110.26 -61.86, -42.21 in-in in 8.1259 Saltbr-in 2.6349 HRD-in -84.6, -55.91 75.29, -7.67 in-in-in SNCiii in-in ActLoopNT-in 3.233 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.26, 150.23 APE9-dihe-na 145.44, 148.58 APE8-dihe-in -73.74, 131.69 APE8-rot-in 285.07 APE67-dihe-inflip 88.6, -3.69 -59.24, 141.32 APE12-dist-in 9.0561 APE11-dist-in 11.2243 APE10-dist-in 5.5315 APE9-dist-in 3.5704 G2019S None None EM 2.7 999.0 999.0 A 1195.0 872.0 9 26 26 0 [[1875, 2134]] 1.0 8tzc Homo sapiens TKL_LRRK2_HUMAN TKL 1.3e-56 198.4 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 8TZHA Q5S007 627 2522 2527.0 A1N:2601 Type1 Inactive DFGin 5.1887 13.0236 None -82.7, -162.66 -41.82, 136.94 -146.23, 112.92 28.36, 40.7 -50.64, 999.0 in-out in 9.2107 Saltbr-out 4.5645 HRD-in -114.23, -59.07 54.02, 31.73 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -53.84 APE8-dihe-in -145.38, 140.36 APE8-rot-in 326.06 APE67-dihe-in -90.26, -10.83 -64.13, -43.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 5.2169 None None None EM 3.9 999.0 999.0 A 2527.0 1485.0 21 26 12 14 [[1875, 2134]] 1.0 8tzh 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 9CHOA Q5S007 543 2527 2527.0 A1N:2701 Type1 Inactive DFGin 6.0139 12.2545 None -87.37, -156.77 -42.12, 141.81 -109.94, -179.33 314.03, 99.42 -59.72, 999.0 in-out in 9.1584 Saltbr-out 5.5545 HRD-in -73.99, -50.39 47.44, 27.45 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -45.86 APE8-dihe-in -153.53, 148.49 APE8-rot-in 317.08 APE67-dihe-in -67.05, -9.98 -58.64, -41.45 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 5.7475 I2020T None None EM 7.8 999.0 999.0 A 1985.0 1792.0 21 26 12 14 [[1875, 2134]] 1.0 9cho Homo sapiens TKL_LRRK2_HUMAN TKL 4.9e-57 199.8 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

Ligand: A1N

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

Hover over column headers for tooltip help.

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