Ligand: 83H

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
None None 2 100.0% 3COHA
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 3COHA O14965 128 388 403.0 83H:1 Type1 Inactive None 999.0 999.0 None -152.33, 69.84 -83.9, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 10.9213 Saltbr-out 5.518 HRD-out 59.23, 23.98 -59.97, 130.51 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 157.25, -27.9 APE9-dihe-na -72.13, -171.14 APE8-dihe-in -87.76, 105.63 APE8-rot-in 312.46 APE67-dihe-in -38.16, -47.94 -61.77, -30.43 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 14.4094 K124A,Q154N,A203S,R251K,T287A,T288A,E336D None None XRAY 2.7 0.249 0.28 A 268.0 247.0 14 26 12 14 [[133, 383]] 1.0 3coh CAMK_AURKA_HUMAN CAMK 6.8e-79 270.7 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 3COHB O14965 128 388 403.0 83H:2 Type1 Inactive None 999.0 999.0 None -152.27, 69.79 -84.21, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 10.8967 Saltbr-out 5.5574 HRD-out 57.18, 24.4 -60.63, 130.55 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 156.6, -25.86 APE9-dihe-na -73.98, -172.9 APE8-dihe-in -86.31, 108.51 APE8-rot-in 309.97 APE67-dihe-in -38.32, -45.55 -61.11, -32.36 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 14.4236 K124A,Q154N,A203S,R251K,T287A,T288A,E336D None None XRAY 2.7 0.249 0.28 B 268.0 247.0 14 26 12 14 [[133, 383]] 1.0 3coh CAMK_AURKA_HUMAN CAMK 6.8e-79 270.7 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: 83H

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
None None 2 100.0% 3COHA
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 3COHA O14965 128 388 403.0 83H:1 Type1 Inactive None 999.0 999.0 None -152.33, 69.84 -83.9, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 10.9213 Saltbr-out 5.518 HRD-out 59.23, 23.98 -59.97, 130.51 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 157.25, -27.9 APE9-dihe-na -72.13, -171.14 APE8-dihe-in -87.76, 105.63 APE8-rot-in 312.46 APE67-dihe-in -38.16, -47.94 -61.77, -30.43 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 14.4094 K124A,Q154N,A203S,R251K,T287A,T288A,E336D None None XRAY 2.7 0.249 0.28 A 268.0 247.0 14 26 12 14 [[133, 383]] 1.0 3coh Homo sapiens CAMK_AURKA_HUMAN CAMK 6.8e-79 270.7 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 3COHB O14965 128 388 403.0 83H:2 Type1 Inactive None 999.0 999.0 None -152.27, 69.79 -84.21, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 10.8967 Saltbr-out 5.5574 HRD-out 57.18, 24.4 -60.63, 130.55 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 156.6, -25.86 APE9-dihe-na -73.98, -172.9 APE8-dihe-in -86.31, 108.51 APE8-rot-in 309.97 APE67-dihe-in -38.32, -45.55 -61.11, -32.36 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 14.4236 K124A,Q154N,A203S,R251K,T287A,T288A,E336D None None XRAY 2.7 0.249 0.28 B 268.0 247.0 14 26 12 14 [[133, 383]] 1.0 3coh Homo sapiens CAMK_AURKA_HUMAN CAMK 6.8e-79 270.7 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: 83H

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