Ligand: A0T

Total number of chains: 2
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8U7HC
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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 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 5OP4A O14757 3 270 476.0 A0T:301 Type1 Active DFGin 6.9576 13.6761 BLAminus -120.25, 163.52 72.52, 97.08 -105.73, 22.62 289.58, 82.01 -73.58, -24.61 in-in in 9.18 Saltbr-in 2.607 HRD-in -76.46, -44.61 73.33, 0.98 in-in-in SNCiii in-in ActLoopNT-in 2.908 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.0, 176.3 APE9-dihe-na 113.44, -150.07 APE8-dihe-in -134.9, 124.12 APE8-rot-in 296.27 APE67-dihe-in -63.53, -18.17 -48.69, -47.33 APE12-dist-in 9.0662 APE11-dist-in 11.5711 APE10-dist-in 6.1936 APE9-dist-in 3.5075 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.0 0.169 0.205 A 297.0 259.0 9 30 30 0 [[9, 265]] 1.0 5op4 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 8U7HC Q5S007 1329 2527 2527.0 A0T:2602 Type1 Active DFGin 6.6983 13.8151 BLAminus -151.89, 162.68 84.4, 53.96 -82.18, 68.13 318.52, 92.12 -89.42, -24.81 in-in in 8.7166 Saltbr-in 2.9911 HRD-in -80.66, -50.67 74.5, -8.1 in-in-in SNCiii in-in ActLoopNT-in 3.1994 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.02, 135.14 APE9-dihe-na 174.93, 137.62 APE8-dihe-in -66.66, 127.94 APE8-rot-in 301.78 APE67-dihe-inflip 117.57, -20.5 -57.74, 115.44 APE12-dist-in 9.2479 APE11-dist-in 11.8898 APE10-dist-in 6.338 APE9-dist-in 4.3411 None None None EM 3.8 999.0 999.0 C 1201.0 1111.0 0 26 26 0 [[1875, 2134]] 1.0 8u7h 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

Ligand: A0T

Total number of chains: 2
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8U7HC
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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 5OP4A O14757 3 270 476.0 A0T:301 Type1 Active DFGin 6.9576 13.6761 BLAminus -120.25, 163.52 72.52, 97.08 -105.73, 22.62 289.58, 82.01 -73.58, -24.61 in-in in 9.18 Saltbr-in 2.607 HRD-in -76.46, -44.61 73.33, 0.98 in-in-in SNCiii in-in ActLoopNT-in 2.908 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.0, 176.3 APE9-dihe-na 113.44, -150.07 APE8-dihe-in -134.9, 124.12 APE8-rot-in 296.27 APE67-dihe-in -63.53, -18.17 -48.69, -47.33 APE12-dist-in 9.0662 APE11-dist-in 11.5711 APE10-dist-in 6.1936 APE9-dist-in 3.5075 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.0 0.169 0.205 A 297.0 259.0 9 30 30 0 [[9, 265]] 1.0 5op4 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 8U7HC Q5S007 1329 2527 2527.0 A0T:2602 Type1 Active DFGin 6.6983 13.8151 BLAminus -151.89, 162.68 84.4, 53.96 -82.18, 68.13 318.52, 92.12 -89.42, -24.81 in-in in 8.7166 Saltbr-in 2.9911 HRD-in -80.66, -50.67 74.5, -8.1 in-in-in SNCiii in-in ActLoopNT-in 3.1994 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.02, 135.14 APE9-dihe-na 174.93, 137.62 APE8-dihe-in -66.66, 127.94 APE8-rot-in 301.78 APE67-dihe-inflip 117.57, -20.5 -57.74, 115.44 APE12-dist-in 9.2479 APE11-dist-in 11.8898 APE10-dist-in 6.338 APE9-dist-in 4.3411 None None None EM 3.8 999.0 999.0 C 1201.0 1111.0 0 26 26 0 [[1875, 2134]] 1.0 8u7h 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

Ligand: A0T

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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