Ligand: R74

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6VPMA
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 6VPMA O14965 7 389 403.0 AMP:60602,R74:60603 ATPlike,Allosteric Inactive DFGin 5.5106 15.7854 BLAminus -126.3, 179.56 64.46, 79.19 -94.31, 22.45 283.25, 78.95 -62.44, -22.15 out-out out 10.4649 Saltbr-out 4.6318 HRD-in -82.12, -50.43 74.02, 3.7 out-in-out SNCoio in-out ActLoopNT-in 2.9505 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -94.21, -5.66 APE9-dihe-na -50.93, -40.67 APE8-dihe-in -122.63, 120.42 APE8-rot-out 167.52 APE67-dihe-in -61.47, -28.56 -78.55, -11.77 APE12-dist-out 25.8473 APE11-dist-out 21.3063 APE10-dist-out 23.1902 APE9-dist-out 28.0965 None TPO288 TPO288 XRAY 1.58 0.17 0.203 A 292.0 261.0 4 26 22 4 [[133, 383]] 1.0 6vpm CAMK_AURKA_HUMAN CAMK 8.4e-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 6VPMB O14965 7 389 403.0 AMP:60601,R74:60602 ATPlike,Allosteric Inactive DFGin 5.618 16.1711 BLAminus -126.47, 179.26 64.24, 79.8 -93.68, 23.42 285.18, 79.92 -68.14, -17.47 out-out out 10.727 Saltbr-out 4.7852 HRD-in -77.29, -52.49 74.53, -0.08 out-in-out SNCoio in-out ActLoopNT-in 2.9546 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -95.93, -6.99 APE9-dihe-na -61.27, -34.46 APE8-dihe-in -116.01, 94.69 APE8-rot-in 318.22 APE67-dihe-in -54.76, -31.62 -74.36, -14.23 APE12-dist-out 26.0157 APE11-dist-out 21.5194 APE10-dist-out 23.6303 APE9-dist-out 28.4313 None TPO288 TPO288 XRAY 1.58 0.17 0.203 B 292.0 261.0 4 26 22 4 [[133, 383]] 1.0 6vpm CAMK_AURKA_HUMAN CAMK 8.4e-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: R74

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6VPMA
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 6VPMA O14965 7 389 403.0 AMP:60602,R74:60603 ATPlike,Allosteric Inactive DFGin 5.5106 15.7854 BLAminus -126.3, 179.56 64.46, 79.19 -94.31, 22.45 283.25, 78.95 -62.44, -22.15 out-out out 10.4649 Saltbr-out 4.6318 HRD-in -82.12, -50.43 74.02, 3.7 out-in-out SNCoio in-out ActLoopNT-in 2.9505 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -94.21, -5.66 APE9-dihe-na -50.93, -40.67 APE8-dihe-in -122.63, 120.42 APE8-rot-out 167.52 APE67-dihe-in -61.47, -28.56 -78.55, -11.77 APE12-dist-out 25.8473 APE11-dist-out 21.3063 APE10-dist-out 23.1902 APE9-dist-out 28.0965 None TPO288 TPO288 XRAY 1.58 0.17 0.203 A 292.0 261.0 4 26 22 4 [[133, 383]] 1.0 6vpm Homo sapiens CAMK_AURKA_HUMAN CAMK 8.4e-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 6VPMB O14965 7 389 403.0 AMP:60601,R74:60602 ATPlike,Allosteric Inactive DFGin 5.618 16.1711 BLAminus -126.47, 179.26 64.24, 79.8 -93.68, 23.42 285.18, 79.92 -68.14, -17.47 out-out out 10.727 Saltbr-out 4.7852 HRD-in -77.29, -52.49 74.53, -0.08 out-in-out SNCoio in-out ActLoopNT-in 2.9546 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -95.93, -6.99 APE9-dihe-na -61.27, -34.46 APE8-dihe-in -116.01, 94.69 APE8-rot-in 318.22 APE67-dihe-in -54.76, -31.62 -74.36, -14.23 APE12-dist-out 26.0157 APE11-dist-out 21.5194 APE10-dist-out 23.6303 APE9-dist-out 28.4313 None TPO288 TPO288 XRAY 1.58 0.17 0.203 B 292.0 261.0 4 26 22 4 [[133, 383]] 1.0 6vpm Homo sapiens CAMK_AURKA_HUMAN CAMK 8.4e-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: R74

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