Ligand: 97B

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 3 100.0% 3H10A
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 3H10A O14965 124 391 403.0 97B:1 Type1 Inactive DFGinter 5.9492 9.2917 None -85.74, 156.36 -96.9, 153.5 66.79, 45.29 317.78, 104.47 -57.91, -32.92 out-out out 11.6847 Saltbr-out 10.3175 HRD-out 59.2, 41.52 -65.77, 140.34 out-out-out SNCooo out-out ActLoopNT-out 17.4337 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooo APE10-dihe-na -128.56, 51.89 APE9-dihe-na 117.04, -170.29 APE8-dihe-in -90.19, 120.52 APE8-rot-in 294.83 APE67-dihe-in -57.04, -32.9 -46.43, -51.7 APE12-dist-in 10.2759 APE11-dist-out 14.6013 APE10-dist-out 13.5368 APE9-dist-out 10.4758 K124A,T287A,T288A None None XRAY 2.2 0.197 0.24 A 268.0 268.0 0 26 26 0 [[133, 383]] 1.0 3h10 CAMK_AURKA_HUMAN CAMK 3.9e-79 271.5 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 3H10B O14965 125 391 403.0 97B:2 Type1 Inactive DFGinter 6.0858 9.0997 None -84.1, 155.64 -96.32, 147.85 67.68, 47.0 313.1, 101.31 -64.96, -29.8 out-out out 11.3478 Saltbr-out 9.7368 HRD-out 52.62, 55.73 -75.29, 145.84 out-out-out SNCooo out-out ActLoopNT-out 17.5945 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooo APE10-dihe-na -164.73, 70.51 APE9-dihe-na 110.59, 173.85 APE8-dihe-in -85.08, 117.86 APE8-rot-in 292.57 APE67-dihe-in -65.77, -24.94 -40.25, -55.5 APE12-dist-in 10.3774 APE11-dist-out 14.4906 APE10-dist-out 13.0909 APE9-dist-out 10.6735 K124A,T287A,T288A None None XRAY 2.2 0.197 0.24 B 268.0 267.0 0 26 26 0 [[133, 383]] 1.0 3h10 CAMK_AURKA_HUMAN CAMK 3.9e-79 271.5 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 3H10D O14965 126 388 403.0 97B:3 Type1 Inactive DFGinter 5.6519 9.3506 None -78.35, 156.2 -102.03, 146.36 61.53, 46.31 320.5, 110.27 -53.35, -35.87 out-out out 12.2711 Saltbr-out 10.4052 HRD-out 47.1, 36.06 -65.28, 120.88 out-out-none SNCoon out-none ActLoopNT-out 16.9329 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 130.75 APE8-rot-in 285.65 APE67-dihe-in -49.42, -30.99 -50.38, -44.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 K124A,T287A,T288A None None XRAY 2.2 0.197 0.24 D 268.0 255.0 8 26 18 8 [[133, 383]] 1.0 3h10 CAMK_AURKA_HUMAN CAMK 3.9e-79 271.5 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: 97B

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 3 100.0% 3H10A
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 3H10A O14965 124 391 403.0 97B:1 Type1 Inactive DFGinter 5.9492 9.2917 None -85.74, 156.36 -96.9, 153.5 66.79, 45.29 317.78, 104.47 -57.91, -32.92 out-out out 11.6847 Saltbr-out 10.3175 HRD-out 59.2, 41.52 -65.77, 140.34 out-out-out SNCooo out-out ActLoopNT-out 17.4337 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooo APE10-dihe-na -128.56, 51.89 APE9-dihe-na 117.04, -170.29 APE8-dihe-in -90.19, 120.52 APE8-rot-in 294.83 APE67-dihe-in -57.04, -32.9 -46.43, -51.7 APE12-dist-in 10.2759 APE11-dist-out 14.6013 APE10-dist-out 13.5368 APE9-dist-out 10.4758 K124A,T287A,T288A None None XRAY 2.2 0.197 0.24 A 268.0 268.0 0 26 26 0 [[133, 383]] 1.0 3h10 Homo sapiens CAMK_AURKA_HUMAN CAMK 3.9e-79 271.5 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 3H10B O14965 125 391 403.0 97B:2 Type1 Inactive DFGinter 6.0858 9.0997 None -84.1, 155.64 -96.32, 147.85 67.68, 47.0 313.1, 101.31 -64.96, -29.8 out-out out 11.3478 Saltbr-out 9.7368 HRD-out 52.62, 55.73 -75.29, 145.84 out-out-out SNCooo out-out ActLoopNT-out 17.5945 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooo APE10-dihe-na -164.73, 70.51 APE9-dihe-na 110.59, 173.85 APE8-dihe-in -85.08, 117.86 APE8-rot-in 292.57 APE67-dihe-in -65.77, -24.94 -40.25, -55.5 APE12-dist-in 10.3774 APE11-dist-out 14.4906 APE10-dist-out 13.0909 APE9-dist-out 10.6735 K124A,T287A,T288A None None XRAY 2.2 0.197 0.24 B 268.0 267.0 0 26 26 0 [[133, 383]] 1.0 3h10 Homo sapiens CAMK_AURKA_HUMAN CAMK 3.9e-79 271.5 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 3H10D O14965 126 388 403.0 97B:3 Type1 Inactive DFGinter 5.6519 9.3506 None -78.35, 156.2 -102.03, 146.36 61.53, 46.31 320.5, 110.27 -53.35, -35.87 out-out out 12.2711 Saltbr-out 10.4052 HRD-out 47.1, 36.06 -65.28, 120.88 out-out-none SNCoon out-none ActLoopNT-out 16.9329 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 130.75 APE8-rot-in 285.65 APE67-dihe-in -49.42, -30.99 -50.38, -44.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 K124A,T287A,T288A None None XRAY 2.2 0.197 0.24 D 268.0 255.0 8 26 18 8 [[133, 383]] 1.0 3h10 Homo sapiens CAMK_AURKA_HUMAN CAMK 3.9e-79 271.5 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: 97B

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