Ligand: A7Q

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5OS6A
DFGout None 1 50.0% 9DMIA
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 AURKA AURKA_HUMAN 5OS6A O14965 127 391 403.0 ADP:401,A7Q:404 ATPlike,Allosteric Inactive DFGin 6.0291 15.7815 BLAminus -126.13, -169.53 51.73, 76.81 -92.36, 19.58 272.42, 79.82 -57.78, -34.45 in-in in 9.2445 Saltbr-in 2.995 HRD-in -81.41, -52.88 69.05, 4.37 in-in-out SNCiio in-out ActLoopNT-in 3.0404 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -77.03, -70.53 APE9-dihe-na -90.32, -115.88 APE8-dihe-in -84.85, 141.6 APE8-rot-out 180.13 APE67-dihe-in -64.32, -26.41 -86.27, 0.74 APE12-dist-in 12.2131 APE11-dist-in 10.8263 APE10-dist-out 10.7401 APE9-dist-out 10.9916 None TPO288 TPO288 XRAY 2.2 0.216 0.277 A 265.0 265.0 0 26 26 0 [[133, 383]] 1.0 5os6 CAMK_AURKA_HUMAN CAMK 7.2e-79 270.6 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
TKL LRRK2 LRRK2_HUMAN 9DMIA Q5S007 1334 2526 2527.0 A1A7Q:2601 Type2 Inactive DFGout 15.84 8.13 None -143.34, 124.58 -90.2, 120.11 -102.11, 113.17 183.37, 75.07 -64.73, -43.31 in-out in 9.1947 Saltbr-out 5.7228 HRD-out -85.28, 107.16 -59.63, -51.47 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, -16.67 APE9-dihe-na 132.14, 155.57 APE8-dihe-in -70.08, 157.55 APE8-rot-out 60.86 APE67-dihe-in -127.81, 0.85 -71.06, 7.57 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.1144 APE9-dist-in 5.003 None None None EM 3.35 999.0 999.0 A 1195.0 933.0 37 26 14 12 [[1875, 2134]] 1.0 9dmi 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: A7Q

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5OS6A
DFGout None 1 50.0% 9DMIA
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 AURKA AURKA_HUMAN 5OS6A O14965 127 391 403.0 ADP:401,A7Q:404 ATPlike,Allosteric Inactive DFGin 6.0291 15.7815 BLAminus -126.13, -169.53 51.73, 76.81 -92.36, 19.58 272.42, 79.82 -57.78, -34.45 in-in in 9.2445 Saltbr-in 2.995 HRD-in -81.41, -52.88 69.05, 4.37 in-in-out SNCiio in-out ActLoopNT-in 3.0404 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -77.03, -70.53 APE9-dihe-na -90.32, -115.88 APE8-dihe-in -84.85, 141.6 APE8-rot-out 180.13 APE67-dihe-in -64.32, -26.41 -86.27, 0.74 APE12-dist-in 12.2131 APE11-dist-in 10.8263 APE10-dist-out 10.7401 APE9-dist-out 10.9916 None TPO288 TPO288 XRAY 2.2 0.216 0.277 A 265.0 265.0 0 26 26 0 [[133, 383]] 1.0 5os6 Homo sapiens CAMK_AURKA_HUMAN CAMK 7.2e-79 270.6 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
TKL LRRK2 LRRK2_HUMAN 9DMIA Q5S007 1334 2526 2527.0 A1A7Q:2601 Type2 Inactive DFGout 15.84 8.13 None -143.34, 124.58 -90.2, 120.11 -102.11, 113.17 183.37, 75.07 -64.73, -43.31 in-out in 9.1947 Saltbr-out 5.7228 HRD-out -85.28, 107.16 -59.63, -51.47 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, -16.67 APE9-dihe-na 132.14, 155.57 APE8-dihe-in -70.08, 157.55 APE8-rot-out 60.86 APE67-dihe-in -127.81, 0.85 -71.06, 7.57 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.1144 APE9-dist-in 5.003 None None None EM 3.35 999.0 999.0 A 1195.0 933.0 37 26 14 12 [[1875, 2134]] 1.0 9dmi 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: A7Q

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