Ligand: 0C6

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% 3UOKA
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 3UOKA O14965 125 389 403.0 0C6:2 Type1 Inactive DFGinter 5.7502 9.2837 None -87.48, -71.36 58.97, -135.37 54.65, -117.02 195.51, 34.07 -55.93, 122.72 out-out out 11.8975 Saltbr-out 12.9164 HRD-out 40.64, 72.07 -97.16, 132.51 out-out-out SNCooo out-out ActLoopNT-out 17.0984 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 75.79, -21.51 APE9-dihe-na -114.86, 8.46 APE8-dihe-out -81.91, -68.59 APE8-rot-out 58.99 APE67-dihe-in -48.81, -38.43 -66.52, -22.51 APE12-dist-out 14.1012 APE11-dist-in 12.2923 APE10-dist-out 16.9657 APE9-dist-out 14.8589 T287D None None XRAY 2.951 0.223 0.276 A 279.0 265.0 0 26 26 0 [[133, 383]] 1.0 3uok 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 3UOKB O14965 125 389 403.0 0C6:1 Type1 Inactive DFGinter 5.7492 9.2769 None -88.85, -71.53 59.08, -134.89 54.38, -116.99 195.48, 34.01 -56.06, 122.86 out-out out 11.8774 Saltbr-out 12.919 HRD-out 40.28, 71.92 -97.4, 131.84 out-out-out SNCooo out-out ActLoopNT-out 17.0785 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 75.7, -21.55 APE9-dihe-na -114.97, 8.84 APE8-dihe-out -82.0, -69.27 APE8-rot-out 58.99 APE67-dihe-in -49.23, -38.63 -66.58, -21.59 APE12-dist-out 14.0964 APE11-dist-in 12.283 APE10-dist-out 16.9628 APE9-dist-out 14.861 T287D None None XRAY 2.951 0.223 0.276 B 279.0 265.0 0 26 26 0 [[133, 383]] 1.0 3uok 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: 0C6

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% 3UOKA
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 3UOKA O14965 125 389 403.0 0C6:2 Type1 Inactive DFGinter 5.7502 9.2837 None -87.48, -71.36 58.97, -135.37 54.65, -117.02 195.51, 34.07 -55.93, 122.72 out-out out 11.8975 Saltbr-out 12.9164 HRD-out 40.64, 72.07 -97.16, 132.51 out-out-out SNCooo out-out ActLoopNT-out 17.0984 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 75.79, -21.51 APE9-dihe-na -114.86, 8.46 APE8-dihe-out -81.91, -68.59 APE8-rot-out 58.99 APE67-dihe-in -48.81, -38.43 -66.52, -22.51 APE12-dist-out 14.1012 APE11-dist-in 12.2923 APE10-dist-out 16.9657 APE9-dist-out 14.8589 T287D None None XRAY 2.951 0.223 0.276 A 279.0 265.0 0 26 26 0 [[133, 383]] 1.0 3uok 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 3UOKB O14965 125 389 403.0 0C6:1 Type1 Inactive DFGinter 5.7492 9.2769 None -88.85, -71.53 59.08, -134.89 54.38, -116.99 195.48, 34.01 -56.06, 122.86 out-out out 11.8774 Saltbr-out 12.919 HRD-out 40.28, 71.92 -97.4, 131.84 out-out-out SNCooo out-out ActLoopNT-out 17.0785 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 75.7, -21.55 APE9-dihe-na -114.97, 8.84 APE8-dihe-out -82.0, -69.27 APE8-rot-out 58.99 APE67-dihe-in -49.23, -38.63 -66.58, -21.59 APE12-dist-out 14.0964 APE11-dist-in 12.283 APE10-dist-out 16.9628 APE9-dist-out 14.861 T287D None None XRAY 2.951 0.223 0.276 B 279.0 265.0 0 26 26 0 [[133, 383]] 1.0 3uok 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: 0C6

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