Ligand: 5DN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 5DN3A
DFGin ABAminus 1 25.0% 5DPVA
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 5DPVA O14965 127 389 403.0 5DN:401,SKE:402 Allosteric,Type1 Inactive DFGin 6.2227 16.2094 ABAminus -110.93, -43.26 -110.84, 101.02 -87.51, 23.53 278.79, 82.59 -59.61, -51.22 out-in out 10.5383 Saltbr-in 3.388 HRD-in -62.88, -51.13 56.61, 19.56 in-in-out SNCiio in-out ActLoopNT-in 3.1231 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 144.36 APE9-dihe-na -94.43, -124.73 APE8-dihe-in -73.05, 138.31 APE8-rot-in 266.66 APE67-dihe-in -36.64, -38.36 -81.1, -11.18 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.4807 APE9-dist-out 10.3541 T287A None None XRAY 2.285 0.225 0.28 A 273.0 257.0 6 26 20 6 [[133, 383]] 1.0 5dpv 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 5DN3A O14965 125 389 403.0 5DN:402,ATP:404 Allosteric,ATPlike Inactive DFGin 5.6992 15.0424 BLAminus -130.89, -174.42 55.28, 74.81 -88.98, 14.12 275.51, 75.93 -51.92, -35.15 in-in in 9.1659 Saltbr-in 2.7201 HRD-in -77.57, -53.05 71.13, 1.06 in-in-out SNCiio in-out ActLoopNT-in 2.9564 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -118.61, -13.13 APE9-dihe-na -74.86, -176.69 APE8-dihe-in -54.45, 125.21 APE8-rot-in 310.73 APE67-dihe-in -44.24, -34.14 -96.33, -16.24 APE12-dist-in 9.4351 APE11-dist-in 13.2348 APE10-dist-out 15.6674 APE9-dist-out 11.2317 None TPO288 TPO288 XRAY 2.05 0.192 0.203 A 272.0 265.0 0 26 26 0 [[133, 383]] 1.0 5dn3 CAMK_AURKA_HUMAN CAMK 6.4e-80 274.1 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 5DT4A O14965 127 390 403.0 5DN:402,ATP:403 Allosteric,ATPlike Inactive DFGin 6.0226 15.016 BLAminus -131.6, -179.1 56.58, 87.02 -103.91, 25.71 282.11, 78.42 -59.32, -42.3 in-in in 9.5441 Saltbr-in 3.0038 HRD-in -66.18, -52.21 66.74, -14.36 in-in-out SNCiio in-out ActLoopNT-in 2.9439 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -57.69 APE9-dihe-na -89.02, -152.47 APE8-dihe-in -67.56, 141.58 APE8-rot-out 191.42 APE67-dihe-in -59.88, -41.29 -85.27, 2.2 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.1589 APE9-dist-out 9.9725 None None None XRAY 2.86 0.193 0.256 A 273.0 259.0 5 26 21 5 [[133, 383]] 1.0 5dt4 CAMK_AURKA_HUMAN CAMK 6.5e-80 274.1 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 5DOSA O14965 127 390 403.0 5DN:402,ATP:403 Allosteric,ATPlike Inactive DFGin 5.9 15.0444 BLAminus -141.11, -178.41 56.44, 85.64 -101.51, 29.55 282.61, 75.97 -61.45, -42.65 in-in in 9.4934 Saltbr-in 2.8607 HRD-in -75.29, -42.25 59.65, -8.83 in-in-out SNCiio in-out ActLoopNT-in 3.0424 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -79.83 APE9-dihe-na -91.08, -144.18 APE8-dihe-in -65.26, 123.97 APE8-rot-out 190.75 APE67-dihe-in -25.49, -64.25 -63.86, -31.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.0331 APE9-dist-out 9.7933 T287A None None XRAY 2.98 0.201 0.273 A 273.0 259.0 5 26 21 5 [[133, 383]] 1.0 5dos 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: 5DN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 5DN3A
DFGin ABAminus 1 25.0% 5DPVA
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 5DPVA O14965 127 389 403.0 5DN:401,SKE:402 Allosteric,Type1 Inactive DFGin 6.2227 16.2094 ABAminus -110.93, -43.26 -110.84, 101.02 -87.51, 23.53 278.79, 82.59 -59.61, -51.22 out-in out 10.5383 Saltbr-in 3.388 HRD-in -62.88, -51.13 56.61, 19.56 in-in-out SNCiio in-out ActLoopNT-in 3.1231 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 144.36 APE9-dihe-na -94.43, -124.73 APE8-dihe-in -73.05, 138.31 APE8-rot-in 266.66 APE67-dihe-in -36.64, -38.36 -81.1, -11.18 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.4807 APE9-dist-out 10.3541 T287A None None XRAY 2.285 0.225 0.28 A 273.0 257.0 6 26 20 6 [[133, 383]] 1.0 5dpv 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 5DN3A O14965 125 389 403.0 5DN:402,ATP:404 Allosteric,ATPlike Inactive DFGin 5.6992 15.0424 BLAminus -130.89, -174.42 55.28, 74.81 -88.98, 14.12 275.51, 75.93 -51.92, -35.15 in-in in 9.1659 Saltbr-in 2.7201 HRD-in -77.57, -53.05 71.13, 1.06 in-in-out SNCiio in-out ActLoopNT-in 2.9564 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -118.61, -13.13 APE9-dihe-na -74.86, -176.69 APE8-dihe-in -54.45, 125.21 APE8-rot-in 310.73 APE67-dihe-in -44.24, -34.14 -96.33, -16.24 APE12-dist-in 9.4351 APE11-dist-in 13.2348 APE10-dist-out 15.6674 APE9-dist-out 11.2317 None TPO288 TPO288 XRAY 2.05 0.192 0.203 A 272.0 265.0 0 26 26 0 [[133, 383]] 1.0 5dn3 Homo sapiens CAMK_AURKA_HUMAN CAMK 6.4e-80 274.1 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 5DT4A O14965 127 390 403.0 5DN:402,ATP:403 Allosteric,ATPlike Inactive DFGin 6.0226 15.016 BLAminus -131.6, -179.1 56.58, 87.02 -103.91, 25.71 282.11, 78.42 -59.32, -42.3 in-in in 9.5441 Saltbr-in 3.0038 HRD-in -66.18, -52.21 66.74, -14.36 in-in-out SNCiio in-out ActLoopNT-in 2.9439 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -57.69 APE9-dihe-na -89.02, -152.47 APE8-dihe-in -67.56, 141.58 APE8-rot-out 191.42 APE67-dihe-in -59.88, -41.29 -85.27, 2.2 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.1589 APE9-dist-out 9.9725 None None None XRAY 2.86 0.193 0.256 A 273.0 259.0 5 26 21 5 [[133, 383]] 1.0 5dt4 Homo sapiens CAMK_AURKA_HUMAN CAMK 6.5e-80 274.1 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 5DOSA O14965 127 390 403.0 5DN:402,ATP:403 Allosteric,ATPlike Inactive DFGin 5.9 15.0444 BLAminus -141.11, -178.41 56.44, 85.64 -101.51, 29.55 282.61, 75.97 -61.45, -42.65 in-in in 9.4934 Saltbr-in 2.8607 HRD-in -75.29, -42.25 59.65, -8.83 in-in-out SNCiio in-out ActLoopNT-in 3.0424 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -79.83 APE9-dihe-na -91.08, -144.18 APE8-dihe-in -65.26, 123.97 APE8-rot-out 190.75 APE67-dihe-in -25.49, -64.25 -63.86, -31.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.0331 APE9-dist-out 9.7933 T287A None None XRAY 2.98 0.201 0.273 A 273.0 259.0 5 26 21 5 [[133, 383]] 1.0 5dos 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: 5DN

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