Ligand: 5E1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 5DR6A
DFGin BLAminus 1 50.0% 5DR2A
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 5DR6A O14965 127 390 403.0 5E1:401,SKE:402 Allosteric,Type1 Inactive DFGin 6.2554 16.2435 ABAminus -109.16, -45.28 -112.39, 100.25 -88.77, 25.04 278.19, 83.44 -61.53, -50.53 out-in out 10.5931 Saltbr-in 3.4325 HRD-in -66.11, -48.32 65.82, 8.05 in-in-out SNCiio in-out ActLoopNT-in 2.9691 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 145.11 APE9-dihe-na -94.91, -119.28 APE8-dihe-in -76.91, 137.76 APE8-rot-in 267.0 APE67-dihe-in -38.0, -37.59 -81.57, -10.33 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.3936 APE9-dist-out 10.6234 T287A None None XRAY 2.534 0.221 0.278 A 273.0 257.0 7 26 19 7 [[133, 383]] 1.0 5dr6 CAMK_AURKA_HUMAN CAMK 1e-79 273.4 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 5DR2A O14965 128 390 403.0 5E1:60401,ATP:60403 Allosteric,ATPlike Inactive DFGin 5.7419 15.1483 BLAminus -112.74, -178.24 59.1, 85.93 -103.74, 31.08 282.48, 80.94 -64.76, -39.96 in-in in 9.2247 Saltbr-in 2.8451 HRD-in -83.01, -54.44 78.2, -2.4 in-in-out SNCiio in-out ActLoopNT-in 2.8713 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -117.43, 59.62 APE9-dihe-na -131.57, -163.05 APE8-dihe-in -74.95, 143.42 APE8-rot-out 161.96 APE67-dihe-in -60.88, -32.64 -91.05, 11.96 APE12-dist-in 12.5259 APE11-dist-in 9.1209 APE10-dist-out 12.6318 APE9-dist-out 10.0391 T287A None None XRAY 2.46 0.225 0.285 A 273.0 263.0 0 26 26 0 [[133, 383]] 1.0 5dr2 CAMK_AURKA_HUMAN CAMK 1e-79 273.4 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: 5E1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 5DR6A
DFGin BLAminus 1 50.0% 5DR2A
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 5DR6A O14965 127 390 403.0 5E1:401,SKE:402 Allosteric,Type1 Inactive DFGin 6.2554 16.2435 ABAminus -109.16, -45.28 -112.39, 100.25 -88.77, 25.04 278.19, 83.44 -61.53, -50.53 out-in out 10.5931 Saltbr-in 3.4325 HRD-in -66.11, -48.32 65.82, 8.05 in-in-out SNCiio in-out ActLoopNT-in 2.9691 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 145.11 APE9-dihe-na -94.91, -119.28 APE8-dihe-in -76.91, 137.76 APE8-rot-in 267.0 APE67-dihe-in -38.0, -37.59 -81.57, -10.33 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.3936 APE9-dist-out 10.6234 T287A None None XRAY 2.534 0.221 0.278 A 273.0 257.0 7 26 19 7 [[133, 383]] 1.0 5dr6 Homo sapiens CAMK_AURKA_HUMAN CAMK 1e-79 273.4 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 5DR2A O14965 128 390 403.0 5E1:60401,ATP:60403 Allosteric,ATPlike Inactive DFGin 5.7419 15.1483 BLAminus -112.74, -178.24 59.1, 85.93 -103.74, 31.08 282.48, 80.94 -64.76, -39.96 in-in in 9.2247 Saltbr-in 2.8451 HRD-in -83.01, -54.44 78.2, -2.4 in-in-out SNCiio in-out ActLoopNT-in 2.8713 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -117.43, 59.62 APE9-dihe-na -131.57, -163.05 APE8-dihe-in -74.95, 143.42 APE8-rot-out 161.96 APE67-dihe-in -60.88, -32.64 -91.05, 11.96 APE12-dist-in 12.5259 APE11-dist-in 9.1209 APE10-dist-out 12.6318 APE9-dist-out 10.0391 T287A None None XRAY 2.46 0.225 0.285 A 273.0 263.0 0 26 26 0 [[133, 383]] 1.0 5dr2 Homo sapiens CAMK_AURKA_HUMAN CAMK 1e-79 273.4 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: 5E1

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