Ligand: PFQ

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2BRBA
DFGinter None 1 50.0% 3K5UA
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 3K5UA O14965 126 394 403.0 PFQ:1001 Type1 Inactive DFGinter 5.7075 8.8247 None -107.52, -18.97 -91.45, 151.1 -94.09, 23.54 298.73, 177.78 -72.02, 54.86 out-out out 12.1242 Saltbr-out 8.7194 HRD-out -88.39, 148.19 -76.48, -155.88 out-out-out SNCooo out-out ActLoopNT-out 5.3654 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, -121.1 APE9-dihe-na 103.03, 152.44 APE8-dihe-in -66.2, 143.09 APE8-rot-in 275.11 APE67-dihe-in -49.38, -31.53 -92.54, -7.65 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 15.4606 APE9-dist-out 13.4355 T288D None None XRAY 2.35 0.242 0.26 A 279.0 260.0 9 26 17 9 [[133, 383]] 1.0 3k5u CAMK_AURKA_HUMAN CAMK 1.6e-79 272.8 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 CHEK1 CHK1_HUMAN 2BRBA O14757 2 276 476.0 PFQ:1277 Type1 Active DFGin 6.777 14.2059 BLAminus -124.91, 167.19 62.16, 91.6 -103.57, 28.61 293.18, 87.6 -71.38, -21.49 in-in in 8.7877 Saltbr-in 3.0854 HRD-in -74.34, -47.68 74.97, -0.21 in-in-in SNCiii in-in ActLoopNT-in 2.9629 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.17, 171.97 APE9-dihe-na 115.21, -150.83 APE8-dihe-in -129.85, 123.76 APE8-rot-in 305.36 APE67-dihe-in -64.1, -22.07 -43.43, -50.05 APE12-dist-in 9.1338 APE11-dist-in 11.6423 APE10-dist-in 6.0163 APE9-dist-in 3.2933 None None None XRAY 2.1 0.243 0.272 A 297.0 272.0 3 30 30 0 [[9, 265]] 1.0 2brb CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1

Ligand: PFQ

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2BRBA
DFGinter None 1 50.0% 3K5UA
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 3K5UA O14965 126 394 403.0 PFQ:1001 Type1 Inactive DFGinter 5.7075 8.8247 None -107.52, -18.97 -91.45, 151.1 -94.09, 23.54 298.73, 177.78 -72.02, 54.86 out-out out 12.1242 Saltbr-out 8.7194 HRD-out -88.39, 148.19 -76.48, -155.88 out-out-out SNCooo out-out ActLoopNT-out 5.3654 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, -121.1 APE9-dihe-na 103.03, 152.44 APE8-dihe-in -66.2, 143.09 APE8-rot-in 275.11 APE67-dihe-in -49.38, -31.53 -92.54, -7.65 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 15.4606 APE9-dist-out 13.4355 T288D None None XRAY 2.35 0.242 0.26 A 279.0 260.0 9 26 17 9 [[133, 383]] 1.0 3k5u Homo sapiens CAMK_AURKA_HUMAN CAMK 1.6e-79 272.8 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 CHEK1 CHK1_HUMAN 2BRBA O14757 2 276 476.0 PFQ:1277 Type1 Active DFGin 6.777 14.2059 BLAminus -124.91, 167.19 62.16, 91.6 -103.57, 28.61 293.18, 87.6 -71.38, -21.49 in-in in 8.7877 Saltbr-in 3.0854 HRD-in -74.34, -47.68 74.97, -0.21 in-in-in SNCiii in-in ActLoopNT-in 2.9629 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -149.17, 171.97 APE9-dihe-na 115.21, -150.83 APE8-dihe-in -129.85, 123.76 APE8-rot-in 305.36 APE67-dihe-in -64.1, -22.07 -43.43, -50.05 APE12-dist-in 9.1338 APE11-dist-in 11.6423 APE10-dist-in 6.0163 APE9-dist-in 3.2933 None None None XRAY 2.1 0.243 0.272 A 297.0 272.0 3 30 30 0 [[9, 265]] 1.0 2brb Homo sapiens CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1

Ligand: PFQ

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