Ligand: 0C4

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% 3UOHA
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 3UOHA O14965 126 389 403.0 0C4:2 Type1 Inactive DFGinter 6.0378 8.9143 None -93.18, -63.37 54.89, -130.23 58.47, -116.07 202.5, 1.54 -59.86, 169.88 out-out out 12.2033 Saltbr-out 10.6415 HRD-out 60.57, 51.18 -70.61, 154.26 out-out-out SNCooo out-out ActLoopNT-out 17.2971 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 97.37, -1.48 APE9-dihe-na -94.0, 16.64 APE8-dihe-out -73.09, -72.62 APE8-rot-out 34.55 APE67-dihe-in -54.13, -35.68 -91.14, -1.84 APE12-dist-out 14.3491 APE11-dist-in 11.496 APE10-dist-out 16.5595 APE9-dist-out 14.0026 T287D None None XRAY 2.8 0.23 0.288 A 279.0 264.0 0 26 26 0 [[133, 383]] 1.0 3uoh 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 3UOHB O14965 126 389 403.0 0C4:1 Type1 Inactive DFGinter 6.0345 8.9001 None -93.16, -63.34 54.68, -130.86 58.94, -116.29 202.73, 0.89 -60.04, 170.49 out-out out 12.2519 Saltbr-out 10.4593 HRD-out 56.43, 52.93 -71.71, 154.95 out-out-out SNCooo out-out ActLoopNT-out 17.2863 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 97.52, -1.59 APE9-dihe-na -93.94, 16.64 APE8-dihe-out -72.82, -72.33 APE8-rot-out 34.94 APE67-dihe-in -54.2, -36.03 -91.21, -1.67 APE12-dist-out 14.3532 APE11-dist-in 11.5068 APE10-dist-out 16.5755 APE9-dist-out 14.0104 T287D None None XRAY 2.8 0.23 0.288 B 279.0 264.0 0 26 26 0 [[133, 383]] 1.0 3uoh 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: 0C4

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% 3UOHA
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 3UOHA O14965 126 389 403.0 0C4:2 Type1 Inactive DFGinter 6.0378 8.9143 None -93.18, -63.37 54.89, -130.23 58.47, -116.07 202.5, 1.54 -59.86, 169.88 out-out out 12.2033 Saltbr-out 10.6415 HRD-out 60.57, 51.18 -70.61, 154.26 out-out-out SNCooo out-out ActLoopNT-out 17.2971 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 97.37, -1.48 APE9-dihe-na -94.0, 16.64 APE8-dihe-out -73.09, -72.62 APE8-rot-out 34.55 APE67-dihe-in -54.13, -35.68 -91.14, -1.84 APE12-dist-out 14.3491 APE11-dist-in 11.496 APE10-dist-out 16.5595 APE9-dist-out 14.0026 T287D None None XRAY 2.8 0.23 0.288 A 279.0 264.0 0 26 26 0 [[133, 383]] 1.0 3uoh 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 3UOHB O14965 126 389 403.0 0C4:1 Type1 Inactive DFGinter 6.0345 8.9001 None -93.16, -63.34 54.68, -130.86 58.94, -116.29 202.73, 0.89 -60.04, 170.49 out-out out 12.2519 Saltbr-out 10.4593 HRD-out 56.43, 52.93 -71.71, 154.95 out-out-out SNCooo out-out ActLoopNT-out 17.2863 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na 97.52, -1.59 APE9-dihe-na -93.94, 16.64 APE8-dihe-out -72.82, -72.33 APE8-rot-out 34.94 APE67-dihe-in -54.2, -36.03 -91.21, -1.67 APE12-dist-out 14.3532 APE11-dist-in 11.5068 APE10-dist-out 16.5755 APE9-dist-out 14.0104 T287D None None XRAY 2.8 0.23 0.288 B 279.0 264.0 0 26 26 0 [[133, 383]] 1.0 3uoh 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: 0C4

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