Ligand: 626

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 33.3% 2OWBA
DFGin None 1 33.3% 2J4ZB
DFGinter None 1 33.3% 2J4ZA
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 2J4ZB O14965 126 395 403.0 626:1395 Type1 Inactive DFGin 4.2178 13.6848 None -135.88, 74.16 -114.29, 33.41 -89.42, 114.89 302.17, 82.01 -8.53, 159.28 out-out out 11.4154 Saltbr-out 7.1624 HRD-out 58.44, 64.77 -95.37, 159.29 out-out-out SNCooo out-out ActLoopNT-out 18.7148 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -94.91, -9.28 APE9-dihe-na 130.48, -157.55 APE8-dihe-in -66.91, 118.34 APE8-rot-in 305.65 APE67-dihe-in -61.18, -13.87 -47.83, -58.47 APE12-dist-out 16.9419 APE11-dist-out 16.0005 APE10-dist-out 16.5324 APE9-dist-out 8.9625 None None None XRAY 2.0 0.214 0.249 B 306.0 270.0 0 26 26 0 [[133, 383]] 1.0 2j4z CAMK_AURKA_HUMAN CAMK 9.9e-80 273.5 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 2J4ZA O14965 126 389 403.0 626:1389 Type1 Inactive DFGinter 6.6272 9.7164 None -134.66, 62.98 -108.04, 40.82 -66.1, -23.24 173.81, 60.57 87.3, -158.48 out-out out 12.4364 Saltbr-out 8.0569 HRD-out 53.27, 78.66 -109.39, 156.45 out-out-out SNCooo out-out ActLoopNT-out 18.6354 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioo APE10-dihe-na -90.61, -7.12 APE9-dihe-na 129.6, -174.7 APE8-dihe-in -67.83, 122.81 APE8-rot-in 307.59 APE67-dihe-in -55.64, -29.26 -49.16, -49.7 APE12-dist-out 15.5335 APE11-dist-in 13.8401 APE10-dist-out 16.3737 APE9-dist-out 7.6149 None None None XRAY 2.0 0.214 0.249 A 306.0 264.0 0 26 26 0 [[133, 383]] 1.0 2j4z CAMK_AURKA_HUMAN CAMK 9.9e-80 273.5 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 PLK1 PLK1_HUMAN 2OWBA P53350 37 330 603.0 626:500 Type1 Inactive DFGin 5.7411 14.2734 BLAminus -131.62, -172.7 55.05, 82.45 -94.97, 27.99 289.46, 84.52 -70.38, -17.86 in-in in 9.5051 Saltbr-in 2.6351 HRD-in -72.25, -49.78 72.96, -0.12 in-in-out SNCiio in-out ActLoopNT-in 3.0056 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_ioio APE10-dihe-na -85.58, 102.01 APE9-dihe-na 139.92, 169.2 APE8-dihe-in -127.98, 85.88 APE8-rot-in 302.45 APE67-dihe-out -70.16, -61.75 -57.83, 150.59 APE12-dist-in 10.9432 APE11-dist-out 7.4221 APE10-dist-in 7.6185 APE9-dist-out 7.9791 T210V None None XRAY 2.1 0.205 0.243 A 335.0 294.0 0 28 28 0 [[53, 305]] 1.0 2owb CAMK_PLK1_HUMAN CAMK 1.8e-78 269.4 1.0 256.0 256.0 193 194 195 197 199 82 101 105 173 175 174 176.0 233 221 216 215 214 213 212 211 210 131 Serine/threonine-protein kinase PLK1

Ligand: 626

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 33.3% 2OWBA
DFGin None 1 33.3% 2J4ZB
DFGinter None 1 33.3% 2J4ZA
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 2J4ZB O14965 126 395 403.0 626:1395 Type1 Inactive DFGin 4.2178 13.6848 None -135.88, 74.16 -114.29, 33.41 -89.42, 114.89 302.17, 82.01 -8.53, 159.28 out-out out 11.4154 Saltbr-out 7.1624 HRD-out 58.44, 64.77 -95.37, 159.29 out-out-out SNCooo out-out ActLoopNT-out 18.7148 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -94.91, -9.28 APE9-dihe-na 130.48, -157.55 APE8-dihe-in -66.91, 118.34 APE8-rot-in 305.65 APE67-dihe-in -61.18, -13.87 -47.83, -58.47 APE12-dist-out 16.9419 APE11-dist-out 16.0005 APE10-dist-out 16.5324 APE9-dist-out 8.9625 None None None XRAY 2.0 0.214 0.249 B 306.0 270.0 0 26 26 0 [[133, 383]] 1.0 2j4z Homo sapiens CAMK_AURKA_HUMAN CAMK 9.9e-80 273.5 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 2J4ZA O14965 126 389 403.0 626:1389 Type1 Inactive DFGinter 6.6272 9.7164 None -134.66, 62.98 -108.04, 40.82 -66.1, -23.24 173.81, 60.57 87.3, -158.48 out-out out 12.4364 Saltbr-out 8.0569 HRD-out 53.27, 78.66 -109.39, 156.45 out-out-out SNCooo out-out ActLoopNT-out 18.6354 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioo APE10-dihe-na -90.61, -7.12 APE9-dihe-na 129.6, -174.7 APE8-dihe-in -67.83, 122.81 APE8-rot-in 307.59 APE67-dihe-in -55.64, -29.26 -49.16, -49.7 APE12-dist-out 15.5335 APE11-dist-in 13.8401 APE10-dist-out 16.3737 APE9-dist-out 7.6149 None None None XRAY 2.0 0.214 0.249 A 306.0 264.0 0 26 26 0 [[133, 383]] 1.0 2j4z Homo sapiens CAMK_AURKA_HUMAN CAMK 9.9e-80 273.5 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 PLK1 PLK1_HUMAN 2OWBA P53350 37 330 603.0 626:500 Type1 Inactive DFGin 5.7411 14.2734 BLAminus -131.62, -172.7 55.05, 82.45 -94.97, 27.99 289.46, 84.52 -70.38, -17.86 in-in in 9.5051 Saltbr-in 2.6351 HRD-in -72.25, -49.78 72.96, -0.12 in-in-out SNCiio in-out ActLoopNT-in 3.0056 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_ioio APE10-dihe-na -85.58, 102.01 APE9-dihe-na 139.92, 169.2 APE8-dihe-in -127.98, 85.88 APE8-rot-in 302.45 APE67-dihe-out -70.16, -61.75 -57.83, 150.59 APE12-dist-in 10.9432 APE11-dist-out 7.4221 APE10-dist-in 7.6185 APE9-dist-out 7.9791 T210V None None XRAY 2.1 0.205 0.243 A 335.0 294.0 0 28 28 0 [[53, 305]] 1.0 2owb Homo sapiens CAMK_PLK1_HUMAN CAMK 1.8e-78 269.4 1.0 256.0 256.0 193 194 195 197 199 82 101 105 173 175 174 176.0 233 221 216 215 214 213 212 211 210 131 Serine/threonine-protein kinase PLK1

Ligand: 626

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