Ligand: FJ9

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7C2WA
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 7C2WA Q9NWZ3 164 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 7.0081 14.1007 BLAminus -138.82, 174.74 56.43, 93.02 -113.13, 26.12 310.56, 79.64 -63.58, -29.99 in-out in 8.5567 Saltbr-out 5.7898 HRD-in -76.31, -45.04 70.93, 17.16 out-in-in SNCoii in-in ActLoopNT-in 2.9224 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -98.24, 170.16 APE9-dihe-na 117.69, -175.19 APE8-dihe-in -120.66, 113.54 APE8-rot-in 311.23 APE67-dihe-in -56.83, -22.49 -39.44, -59.61 APE12-dist-in 9.3821 APE11-dist-in 11.4744 APE10-dist-in 6.0252 APE9-dist-in 3.9123 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 A 296.0 295.0 0 30 30 0 [[183, 456]] 1.0 7c2w TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 7C2WB Q9NWZ3 163 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 6.9785 14.6116 BLAminus -136.45, 162.53 68.37, 80.41 -104.06, 37.12 313.57, 98.38 -78.22, -38.45 in-out in 9.1185 Saltbr-out 6.5735 HRD-in -83.19, -43.83 70.57, 2.83 out-in-in SNCoii in-in ActLoopNT-in 2.6388 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.34, 141.77 APE9-dihe-na 153.89, -173.46 APE8-dihe-in -107.61, 111.76 APE8-rot-in 314.98 APE67-dihe-in -66.34, -21.87 -50.88, -45.35 APE12-dist-in 10.6643 APE11-dist-in 11.5527 APE10-dist-in 6.5733 APE9-dist-in 3.7907 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 B 296.0 296.0 0 30 30 0 [[183, 456]] 1.0 7c2w TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 7C2WC Q9NWZ3 164 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 6.572 14.2817 BLAminus -111.0, 169.93 74.2, 68.59 -90.48, 38.19 306.97, 110.28 -72.84, -29.79 in-out in 8.7988 Saltbr-out 5.1436 HRD-in -81.6, -51.31 75.53, 23.82 out-in-in SNCoii in-in ActLoopNT-in 3.0948 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.53, 139.11 APE9-dihe-na 144.09, -177.78 APE8-dihe-in -103.04, 109.59 APE8-rot-in 305.86 APE67-dihe-in -65.96, -16.53 -57.46, -35.15 APE12-dist-in 10.9103 APE11-dist-in 11.7507 APE10-dist-in 6.7479 APE9-dist-in 4.2238 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 C 296.0 295.0 0 30 30 0 [[183, 456]] 1.0 7c2w TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 7C2WD Q9NWZ3 164 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 7.1196 14.474 BLAminus -122.46, 161.89 73.23, 111.34 -132.13, 33.23 304.46, 95.4 -62.48, -38.96 in-out in 8.8964 Saltbr-out 3.7048 HRD-in -82.62, -42.53 65.68, 19.17 out-in-in SNCoii in-in ActLoopNT-in 2.4233 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.21, 150.63 APE9-dihe-na 117.03, -166.09 APE8-dihe-in -99.2, 111.11 APE8-rot-in 306.68 APE67-dihe-in -65.8, -26.71 -55.01, -29.38 APE12-dist-in 10.7708 APE11-dist-in 11.4005 APE10-dist-in 6.0408 APE9-dist-in 4.3734 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 D 296.0 295.0 0 30 30 0 [[183, 456]] 1.0 7c2w TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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: FJ9

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7C2WA
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 7C2WA Q9NWZ3 164 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 7.0081 14.1007 BLAminus -138.82, 174.74 56.43, 93.02 -113.13, 26.12 310.56, 79.64 -63.58, -29.99 in-out in 8.5567 Saltbr-out 5.7898 HRD-in -76.31, -45.04 70.93, 17.16 out-in-in SNCoii in-in ActLoopNT-in 2.9224 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -98.24, 170.16 APE9-dihe-na 117.69, -175.19 APE8-dihe-in -120.66, 113.54 APE8-rot-in 311.23 APE67-dihe-in -56.83, -22.49 -39.44, -59.61 APE12-dist-in 9.3821 APE11-dist-in 11.4744 APE10-dist-in 6.0252 APE9-dist-in 3.9123 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 A 296.0 295.0 0 30 30 0 [[183, 456]] 1.0 7c2w Homo sapiens TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 7C2WB Q9NWZ3 163 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 6.9785 14.6116 BLAminus -136.45, 162.53 68.37, 80.41 -104.06, 37.12 313.57, 98.38 -78.22, -38.45 in-out in 9.1185 Saltbr-out 6.5735 HRD-in -83.19, -43.83 70.57, 2.83 out-in-in SNCoii in-in ActLoopNT-in 2.6388 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.34, 141.77 APE9-dihe-na 153.89, -173.46 APE8-dihe-in -107.61, 111.76 APE8-rot-in 314.98 APE67-dihe-in -66.34, -21.87 -50.88, -45.35 APE12-dist-in 10.6643 APE11-dist-in 11.5527 APE10-dist-in 6.5733 APE9-dist-in 3.7907 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 B 296.0 296.0 0 30 30 0 [[183, 456]] 1.0 7c2w Homo sapiens TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 7C2WC Q9NWZ3 164 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 6.572 14.2817 BLAminus -111.0, 169.93 74.2, 68.59 -90.48, 38.19 306.97, 110.28 -72.84, -29.79 in-out in 8.7988 Saltbr-out 5.1436 HRD-in -81.6, -51.31 75.53, 23.82 out-in-in SNCoii in-in ActLoopNT-in 3.0948 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.53, 139.11 APE9-dihe-na 144.09, -177.78 APE8-dihe-in -103.04, 109.59 APE8-rot-in 305.86 APE67-dihe-in -65.96, -16.53 -57.46, -35.15 APE12-dist-in 10.9103 APE11-dist-in 11.7507 APE10-dist-in 6.7479 APE9-dist-in 4.2238 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 C 296.0 295.0 0 30 30 0 [[183, 456]] 1.0 7c2w Homo sapiens TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 7C2WD Q9NWZ3 164 458 460.0 YTH:345,FJ9:501 Allosteric,Type1 Inactive DFGin 7.1196 14.474 BLAminus -122.46, 161.89 73.23, 111.34 -132.13, 33.23 304.46, 95.4 -62.48, -38.96 in-out in 8.8964 Saltbr-out 3.7048 HRD-in -82.62, -42.53 65.68, 19.17 out-in-in SNCoii in-in ActLoopNT-in 2.4233 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.21, 150.63 APE9-dihe-na 117.03, -166.09 APE8-dihe-in -99.2, 111.11 APE8-rot-in 306.68 APE67-dihe-in -65.8, -26.71 -55.01, -29.38 APE12-dist-in 10.7708 APE11-dist-in 11.4005 APE10-dist-in 6.0408 APE9-dist-in 4.3734 None SEP346 YTH345,SEP346 XRAY 3.2 0.266 0.355 D 296.0 295.0 0 30 30 0 [[183, 456]] 1.0 7c2w Homo sapiens TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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: FJ9

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