Ligand: 0C7

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 3UOLA
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 3UOLA O14965 127 389 403.0 0C7:2 Type1 Inactive DFGinter 6.0688 8.6574 None -80.65, -49.91 38.66, -132.1 60.59, -110.72 197.86, 22.76 -76.74, 23.35 out-out out 13.7802 Saltbr-out 9.949 HRD-out 53.65, 45.58 -63.49, 138.74 out-out-out SNCooo out-out ActLoopNT-out 17.0956 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 91.11, -3.8 APE9-dihe-na -96.74, -20.87 APE8-dihe-out -56.71, -68.79 APE8-rot-out 61.79 APE67-dihe-in -54.04, -24.57 -47.13, -38.35 APE12-dist-out 15.1122 APE11-dist-in 13.7844 APE10-dist-out 17.7242 APE9-dist-out 14.4029 T287D None None XRAY 2.4 0.237 0.283 A 279.0 263.0 0 26 26 0 [[133, 383]] 1.0 3uol CAMK_AURKA_HUMAN CAMK 8.7e-80 273.7 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
CAMK AURKA AURKA_HUMAN 3UOLB O14965 127 389 403.0 0C7:1 Type1 Inactive DFGinter 5.9903 8.6597 None -80.74, -49.45 38.08, -131.75 60.44, -110.58 198.19, 22.88 -77.08, 23.2 out-out out 13.7763 Saltbr-out 9.9593 HRD-out 54.22, 44.36 -62.05, 139.57 out-out-out SNCooo out-out ActLoopNT-out 17.0935 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 91.25, -3.95 APE9-dihe-na -95.92, -22.22 APE8-dihe-out -56.1, -68.18 APE8-rot-out 62.15 APE67-dihe-in -54.2, -24.78 -47.47, -38.07 APE12-dist-out 15.1229 APE11-dist-in 13.7913 APE10-dist-out 17.7315 APE9-dist-out 14.3906 T287D None None XRAY 2.4 0.237 0.283 B 279.0 263.0 0 26 26 0 [[133, 383]] 1.0 3uol CAMK_AURKA_HUMAN CAMK 8.7e-80 273.7 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

Ligand: 0C7

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 3UOLA
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 3UOLA O14965 127 389 403.0 0C7:2 Type1 Inactive DFGinter 6.0688 8.6574 None -80.65, -49.91 38.66, -132.1 60.59, -110.72 197.86, 22.76 -76.74, 23.35 out-out out 13.7802 Saltbr-out 9.949 HRD-out 53.65, 45.58 -63.49, 138.74 out-out-out SNCooo out-out ActLoopNT-out 17.0956 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 91.11, -3.8 APE9-dihe-na -96.74, -20.87 APE8-dihe-out -56.71, -68.79 APE8-rot-out 61.79 APE67-dihe-in -54.04, -24.57 -47.13, -38.35 APE12-dist-out 15.1122 APE11-dist-in 13.7844 APE10-dist-out 17.7242 APE9-dist-out 14.4029 T287D None None XRAY 2.4 0.237 0.283 A 279.0 263.0 0 26 26 0 [[133, 383]] 1.0 3uol Homo sapiens CAMK_AURKA_HUMAN CAMK 8.7e-80 273.7 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
CAMK AURKA AURKA_HUMAN 3UOLB O14965 127 389 403.0 0C7:1 Type1 Inactive DFGinter 5.9903 8.6597 None -80.74, -49.45 38.08, -131.75 60.44, -110.58 198.19, 22.88 -77.08, 23.2 out-out out 13.7763 Saltbr-out 9.9593 HRD-out 54.22, 44.36 -62.05, 139.57 out-out-out SNCooo out-out ActLoopNT-out 17.0935 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 91.25, -3.95 APE9-dihe-na -95.92, -22.22 APE8-dihe-out -56.1, -68.18 APE8-rot-out 62.15 APE67-dihe-in -54.2, -24.78 -47.47, -38.07 APE12-dist-out 15.1229 APE11-dist-in 13.7913 APE10-dist-out 17.7315 APE9-dist-out 14.3906 T287D None None XRAY 2.4 0.237 0.283 B 279.0 263.0 0 26 26 0 [[133, 383]] 1.0 3uol Homo sapiens CAMK_AURKA_HUMAN CAMK 8.7e-80 273.7 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

Ligand: 0C7

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