Ligand: R7D

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% 6VPLA
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 6VPLA O14965 7 389 403.0 ANP:60602,R7D:60606 ATPlike,Allosteric Inactive DFGin 5.4712 15.7016 BLAminus -128.47, 179.47 64.6, 81.81 -95.02, 21.48 283.88, 78.68 -63.38, -17.61 out-out out 10.4098 Saltbr-out 4.4992 HRD-in -80.46, -54.34 74.63, 5.06 out-in-out SNCoio in-out ActLoopNT-in 2.9665 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -88.44, -6.25 APE9-dihe-na -62.06, -23.8 APE8-dihe-in -134.19, 108.37 APE8-rot-in 311.29 APE67-dihe-in -61.89, -28.27 -86.38, -9.29 APE12-dist-out 25.8944 APE11-dist-out 21.3249 APE10-dist-out 23.1598 APE9-dist-out 28.0042 None TPO288 TPO288 XRAY 1.86 0.169 0.201 A 292.0 262.0 4 26 22 4 [[133, 383]] 1.0 6vpl 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 6VPLB O14965 7 389 403.0 ANP:60601,R7D:60605 ATPlike,Allosteric Inactive DFGin 5.5835 16.0448 BLAminus -127.84, 176.75 65.51, 80.18 -93.8, 23.88 286.09, 77.69 -67.93, -15.19 out-out out 10.6562 Saltbr-out 4.5577 HRD-in -79.97, -52.06 71.02, 4.97 out-in-out SNCoio in-out ActLoopNT-in 2.9438 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -84.27, -7.56 APE9-dihe-na -59.65, -24.89 APE8-dihe-in -135.15, 99.87 APE8-rot-in 315.26 APE67-dihe-in -58.26, -30.91 -76.18, -13.07 APE12-dist-out 25.8592 APE11-dist-out 21.4014 APE10-dist-out 23.5627 APE9-dist-out 28.2448 None TPO288 TPO288 XRAY 1.86 0.169 0.201 B 292.0 262.0 4 26 22 4 [[133, 383]] 1.0 6vpl 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: R7D

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% 6VPLA
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 6VPLA O14965 7 389 403.0 ANP:60602,R7D:60606 ATPlike,Allosteric Inactive DFGin 5.4712 15.7016 BLAminus -128.47, 179.47 64.6, 81.81 -95.02, 21.48 283.88, 78.68 -63.38, -17.61 out-out out 10.4098 Saltbr-out 4.4992 HRD-in -80.46, -54.34 74.63, 5.06 out-in-out SNCoio in-out ActLoopNT-in 2.9665 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -88.44, -6.25 APE9-dihe-na -62.06, -23.8 APE8-dihe-in -134.19, 108.37 APE8-rot-in 311.29 APE67-dihe-in -61.89, -28.27 -86.38, -9.29 APE12-dist-out 25.8944 APE11-dist-out 21.3249 APE10-dist-out 23.1598 APE9-dist-out 28.0042 None TPO288 TPO288 XRAY 1.86 0.169 0.201 A 292.0 262.0 4 26 22 4 [[133, 383]] 1.0 6vpl 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 6VPLB O14965 7 389 403.0 ANP:60601,R7D:60605 ATPlike,Allosteric Inactive DFGin 5.5835 16.0448 BLAminus -127.84, 176.75 65.51, 80.18 -93.8, 23.88 286.09, 77.69 -67.93, -15.19 out-out out 10.6562 Saltbr-out 4.5577 HRD-in -79.97, -52.06 71.02, 4.97 out-in-out SNCoio in-out ActLoopNT-in 2.9438 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -84.27, -7.56 APE9-dihe-na -59.65, -24.89 APE8-dihe-in -135.15, 99.87 APE8-rot-in 315.26 APE67-dihe-in -58.26, -30.91 -76.18, -13.07 APE12-dist-out 25.8592 APE11-dist-out 21.4014 APE10-dist-out 23.5627 APE9-dist-out 28.2448 None TPO288 TPO288 XRAY 1.86 0.169 0.201 B 292.0 262.0 4 26 22 4 [[133, 383]] 1.0 6vpl 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: R7D

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