Ligand: 4S2

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% 4ZTMA
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 4ZTMA Q9NWZ3 162 459 460.0 4S2:501 Type1 Active DFGin 6.8411 14.0035 BLAminus -126.65, 176.49 62.86, 88.68 -111.82, 16.17 306.42, 93.16 -61.8, -39.01 in-in in 8.6752 Saltbr-in 3.5039 HRD-in -66.09, -48.54 74.54, -1.58 in-in-in SNCiii in-in ActLoopNT-in 2.6621 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.13, 150.6 APE9-dihe-na 137.15, -172.25 APE8-dihe-in -111.72, 110.91 APE8-rot-in 308.99 APE67-dihe-in -63.61, -18.06 -39.97, -47.58 APE12-dist-in 9.7817 APE11-dist-in 11.6895 APE10-dist-in 6.2377 APE9-dist-in 3.84 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 A 301.0 290.0 8 30 27 3 [[183, 456]] 1.0 4ztm TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 4ZTMB Q9NWZ3 161 459 460.0 4S2:501 Type1 Active DFGin 6.949 13.8532 BLAminus -125.14, 175.8 64.22, 86.81 -111.57, 16.58 307.7, 93.22 -64.41, -38.21 in-in in 8.1073 Saltbr-in 3.2761 HRD-in -68.42, -47.04 74.05, -1.81 in-in-in SNCiii in-in ActLoopNT-in 2.888 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.65, 151.81 APE9-dihe-na 136.32, -173.24 APE8-dihe-in -111.48, 109.87 APE8-rot-in 308.84 APE67-dihe-in -65.88, -16.61 -38.33, -48.13 APE12-dist-in 9.8545 APE11-dist-in 11.6677 APE10-dist-in 6.2266 APE9-dist-in 3.8116 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 B 301.0 283.0 16 30 24 6 [[183, 456]] 1.0 4ztm TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 4ZTMC Q9NWZ3 164 460 460.0 4S2:501 Type1 Inactive DFGin 7.0479 13.9738 BLAminus -126.04, 176.22 63.0, 87.68 -110.92, 16.43 306.51, 93.12 -61.69, -39.3 in-out in 8.6617 Saltbr-out 3.7253 HRD-in -70.81, -43.23 73.84, -1.89 out-in-in SNCoii in-in ActLoopNT-in 2.6646 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.63, 152.69 APE9-dihe-na 136.92, -172.96 APE8-dihe-in -111.3, 109.86 APE8-rot-in 307.24 APE67-dihe-in -64.59, -17.33 -36.72, -48.95 APE12-dist-in 9.9325 APE11-dist-in 11.7469 APE10-dist-in 6.2763 APE9-dist-in 3.8108 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 C 301.0 285.0 12 30 26 4 [[183, 456]] 1.0 4ztm TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 4ZTMD Q9NWZ3 164 459 460.0 4S2:501 Type1 Active DFGin 7.3251 14.0535 BLAminus -123.99, 176.44 63.13, 88.09 -113.68, 22.11 303.38, 91.55 -67.04, -38.41 in-in in 8.4641 Saltbr-in 3.3579 HRD-in -67.68, -48.45 75.88, -3.34 in-in-in SNCiii in-in ActLoopNT-in 2.6773 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.43, 151.52 APE9-dihe-na 136.49, -173.1 APE8-dihe-in -111.23, 109.28 APE8-rot-in 305.91 APE67-dihe-in -63.51, -17.43 -35.93, -49.7 APE12-dist-in 9.8849 APE11-dist-in 11.7058 APE10-dist-in 6.2608 APE9-dist-in 3.8589 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 D 301.0 285.0 11 30 25 5 [[183, 456]] 1.0 4ztm TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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: 4S2

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% 4ZTMA
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 4ZTMA Q9NWZ3 162 459 460.0 4S2:501 Type1 Active DFGin 6.8411 14.0035 BLAminus -126.65, 176.49 62.86, 88.68 -111.82, 16.17 306.42, 93.16 -61.8, -39.01 in-in in 8.6752 Saltbr-in 3.5039 HRD-in -66.09, -48.54 74.54, -1.58 in-in-in SNCiii in-in ActLoopNT-in 2.6621 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.13, 150.6 APE9-dihe-na 137.15, -172.25 APE8-dihe-in -111.72, 110.91 APE8-rot-in 308.99 APE67-dihe-in -63.61, -18.06 -39.97, -47.58 APE12-dist-in 9.7817 APE11-dist-in 11.6895 APE10-dist-in 6.2377 APE9-dist-in 3.84 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 A 301.0 290.0 8 30 27 3 [[183, 456]] 1.0 4ztm Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 4ZTMB Q9NWZ3 161 459 460.0 4S2:501 Type1 Active DFGin 6.949 13.8532 BLAminus -125.14, 175.8 64.22, 86.81 -111.57, 16.58 307.7, 93.22 -64.41, -38.21 in-in in 8.1073 Saltbr-in 3.2761 HRD-in -68.42, -47.04 74.05, -1.81 in-in-in SNCiii in-in ActLoopNT-in 2.888 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.65, 151.81 APE9-dihe-na 136.32, -173.24 APE8-dihe-in -111.48, 109.87 APE8-rot-in 308.84 APE67-dihe-in -65.88, -16.61 -38.33, -48.13 APE12-dist-in 9.8545 APE11-dist-in 11.6677 APE10-dist-in 6.2266 APE9-dist-in 3.8116 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 B 301.0 283.0 16 30 24 6 [[183, 456]] 1.0 4ztm Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 4ZTMC Q9NWZ3 164 460 460.0 4S2:501 Type1 Inactive DFGin 7.0479 13.9738 BLAminus -126.04, 176.22 63.0, 87.68 -110.92, 16.43 306.51, 93.12 -61.69, -39.3 in-out in 8.6617 Saltbr-out 3.7253 HRD-in -70.81, -43.23 73.84, -1.89 out-in-in SNCoii in-in ActLoopNT-in 2.6646 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.63, 152.69 APE9-dihe-na 136.92, -172.96 APE8-dihe-in -111.3, 109.86 APE8-rot-in 307.24 APE67-dihe-in -64.59, -17.33 -36.72, -48.95 APE12-dist-in 9.9325 APE11-dist-in 11.7469 APE10-dist-in 6.2763 APE9-dist-in 3.8108 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 C 301.0 285.0 12 30 26 4 [[183, 456]] 1.0 4ztm Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 4ZTMD Q9NWZ3 164 459 460.0 4S2:501 Type1 Active DFGin 7.3251 14.0535 BLAminus -123.99, 176.44 63.13, 88.09 -113.68, 22.11 303.38, 91.55 -67.04, -38.41 in-in in 8.4641 Saltbr-in 3.3579 HRD-in -67.68, -48.45 75.88, -3.34 in-in-in SNCiii in-in ActLoopNT-in 2.6773 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.43, 151.52 APE9-dihe-na 136.49, -173.1 APE8-dihe-in -111.23, 109.28 APE8-rot-in 305.91 APE67-dihe-in -63.51, -17.43 -35.93, -49.7 APE12-dist-in 9.8849 APE11-dist-in 11.7058 APE10-dist-in 6.2608 APE9-dist-in 3.8589 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.66 0.195 0.226 D 301.0 285.0 11 30 25 5 [[183, 456]] 1.0 4ztm Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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: 4S2

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