Ligand: ZVD

Total number of chains: 4
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 8SCEB
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
TKL IRAK4 IRAK4_HUMAN 8SCEA Q9NWZ3 164 459 460.0 ZVD:501 Type1 Inactive DFGin 6.8097 14.0165 BLAminus -126.47, -178.7 59.91, 82.58 -102.13, 13.59 306.65, 101.09 -59.02, -31.96 in-out in 8.9343 Saltbr-out 3.9405 HRD-in -69.45, -51.74 77.12, -3.19 out-in-in SNCoii in-in ActLoopNT-in 2.7833 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.78, 152.45 APE9-dihe-na 139.2, -169.88 APE8-dihe-in -111.37, 109.73 APE8-rot-in 310.53 APE67-dihe-in -61.52, -17.0 -52.93, -40.4 APE12-dist-in 10.3682 APE11-dist-in 11.7487 APE10-dist-in 6.5372 APE9-dist-in 4.2328 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 A 305.0 286.0 10 30 25 5 [[183, 456]] 1.0 8sce TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8SCEB Q9NWZ3 164 458 460.0 ZVD:501 Type1 Active DFGin 6.8725 13.8448 BLAminus -128.59, -178.77 60.92, 81.27 -102.45, 15.1 307.63, 100.59 -60.68, -32.26 in-in in 8.6415 Saltbr-in 3.2068 HRD-in -69.44, -52.46 77.81, -3.32 in-in-in SNCiii in-in ActLoopNT-in 2.7901 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.77, 152.58 APE9-dihe-na 139.09, -170.98 APE8-dihe-in -109.95, 109.6 APE8-rot-in 309.72 APE67-dihe-in -61.76, -17.48 -53.14, -40.37 APE12-dist-in 10.5158 APE11-dist-in 11.7603 APE10-dist-in 6.561 APE9-dist-in 4.2252 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 B 305.0 287.0 8 30 25 5 [[183, 456]] 1.0 8sce TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8SCED Q9NWZ3 161 459 460.0 ZVD:502 Type1 Active DFGin 6.7762 13.9041 BLAminus -121.43, -179.64 62.94, 81.94 -102.76, 13.61 305.86, 101.34 -60.3, -31.77 in-in in 8.6314 Saltbr-in 3.283 HRD-in -70.01, -51.91 77.74, -5.02 in-in-in SNCiii in-in ActLoopNT-in 2.7748 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.26, 152.99 APE9-dihe-na 137.91, -170.79 APE8-dihe-in -110.55, 110.46 APE8-rot-in 310.04 APE67-dihe-in -60.43, -17.98 -47.93, -46.75 APE12-dist-in 10.4381 APE11-dist-in 11.9081 APE10-dist-in 6.6649 APE9-dist-in 4.244 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 D 305.0 289.0 10 30 26 4 [[183, 456]] 1.0 8sce TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8SCEE Q9NWZ3 162 459 460.0 ZVD:503 Type1 Active DFGin 6.8879 13.9235 BLAminus -126.97, -179.73 60.71, 81.73 -102.64, 14.04 307.26, 101.4 -57.91, -39.49 in-in in 8.6754 Saltbr-in 3.5345 HRD-in -70.01, -51.05 77.24, -5.5 in-in-in SNCiii in-in ActLoopNT-in 2.7794 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.13, 152.08 APE9-dihe-na 138.21, -170.74 APE8-dihe-in -110.91, 109.01 APE8-rot-in 310.79 APE67-dihe-in -61.86, -16.65 -47.33, -46.49 APE12-dist-in 10.5153 APE11-dist-in 11.9011 APE10-dist-in 6.6318 APE9-dist-in 4.2245 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 E 305.0 285.0 13 30 26 4 [[183, 456]] 1.0 8sce TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: ZVD

Total number of chains: 4
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 8SCEB
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
TKL IRAK4 IRAK4_HUMAN 8SCEA Q9NWZ3 164 459 460.0 ZVD:501 Type1 Inactive DFGin 6.8097 14.0165 BLAminus -126.47, -178.7 59.91, 82.58 -102.13, 13.59 306.65, 101.09 -59.02, -31.96 in-out in 8.9343 Saltbr-out 3.9405 HRD-in -69.45, -51.74 77.12, -3.19 out-in-in SNCoii in-in ActLoopNT-in 2.7833 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.78, 152.45 APE9-dihe-na 139.2, -169.88 APE8-dihe-in -111.37, 109.73 APE8-rot-in 310.53 APE67-dihe-in -61.52, -17.0 -52.93, -40.4 APE12-dist-in 10.3682 APE11-dist-in 11.7487 APE10-dist-in 6.5372 APE9-dist-in 4.2328 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 A 305.0 286.0 10 30 25 5 [[183, 456]] 1.0 8sce Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8SCEB Q9NWZ3 164 458 460.0 ZVD:501 Type1 Active DFGin 6.8725 13.8448 BLAminus -128.59, -178.77 60.92, 81.27 -102.45, 15.1 307.63, 100.59 -60.68, -32.26 in-in in 8.6415 Saltbr-in 3.2068 HRD-in -69.44, -52.46 77.81, -3.32 in-in-in SNCiii in-in ActLoopNT-in 2.7901 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.77, 152.58 APE9-dihe-na 139.09, -170.98 APE8-dihe-in -109.95, 109.6 APE8-rot-in 309.72 APE67-dihe-in -61.76, -17.48 -53.14, -40.37 APE12-dist-in 10.5158 APE11-dist-in 11.7603 APE10-dist-in 6.561 APE9-dist-in 4.2252 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 B 305.0 287.0 8 30 25 5 [[183, 456]] 1.0 8sce Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8SCED Q9NWZ3 161 459 460.0 ZVD:502 Type1 Active DFGin 6.7762 13.9041 BLAminus -121.43, -179.64 62.94, 81.94 -102.76, 13.61 305.86, 101.34 -60.3, -31.77 in-in in 8.6314 Saltbr-in 3.283 HRD-in -70.01, -51.91 77.74, -5.02 in-in-in SNCiii in-in ActLoopNT-in 2.7748 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.26, 152.99 APE9-dihe-na 137.91, -170.79 APE8-dihe-in -110.55, 110.46 APE8-rot-in 310.04 APE67-dihe-in -60.43, -17.98 -47.93, -46.75 APE12-dist-in 10.4381 APE11-dist-in 11.9081 APE10-dist-in 6.6649 APE9-dist-in 4.244 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 D 305.0 289.0 10 30 26 4 [[183, 456]] 1.0 8sce Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8SCEE Q9NWZ3 162 459 460.0 ZVD:503 Type1 Active DFGin 6.8879 13.9235 BLAminus -126.97, -179.73 60.71, 81.73 -102.64, 14.04 307.26, 101.4 -57.91, -39.49 in-in in 8.6754 Saltbr-in 3.5345 HRD-in -70.01, -51.05 77.24, -5.5 in-in-in SNCiii in-in ActLoopNT-in 2.7794 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.13, 152.08 APE9-dihe-na 138.21, -170.74 APE8-dihe-in -110.91, 109.01 APE8-rot-in 310.79 APE67-dihe-in -61.86, -16.65 -47.33, -46.49 APE12-dist-in 10.5153 APE11-dist-in 11.9011 APE10-dist-in 6.6318 APE9-dist-in 4.2245 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.89 0.204 0.228 E 305.0 285.0 13 30 26 4 [[183, 456]] 1.0 8sce Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: ZVD

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