Ligand: 42P

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4XS2A
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 4XS2A Q9NWZ3 163 459 460.0 42P:501 Type1 Inactive DFGin 6.9606 13.8175 BLAminus -139.83, 178.59 62.42, 89.38 -110.92, 32.37 305.3, 93.64 -72.26, -32.74 in-out in 8.1825 Saltbr-out 3.8869 HRD-in -66.15, -47.6 71.03, 8.51 out-in-in SNCoii in-in ActLoopNT-in 2.7232 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.97, 150.86 APE9-dihe-na 147.38, -162.61 APE8-dihe-in -121.73, 101.64 APE8-rot-in 312.4 APE67-dihe-in -60.48, -25.99 -31.6, -51.75 APE12-dist-in 10.2037 APE11-dist-in 11.5946 APE10-dist-in 6.3636 APE9-dist-in 3.8944 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 A 301.0 286.0 11 30 26 4 [[183, 456]] 1.0 4xs2 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 4XS2B Q9NWZ3 161 459 460.0 42P:501 Type1 Active DFGin 7.0765 13.8865 BLAminus -139.83, 178.8 62.52, 89.3 -111.11, 32.77 305.23, 93.71 -72.57, -32.59 in-in in 8.756 Saltbr-in 3.1307 HRD-in -65.98, -47.74 71.13, 8.5 in-in-in SNCiii in-in ActLoopNT-in 2.9047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.99, 146.9 APE9-dihe-na 152.01, -163.09 APE8-dihe-in -121.37, 101.63 APE8-rot-in 312.25 APE67-dihe-in -59.65, -26.7 -31.84, -51.61 APE12-dist-in 10.1773 APE11-dist-in 11.5738 APE10-dist-in 6.3629 APE9-dist-in 3.9021 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 B 301.0 281.0 18 30 23 7 [[183, 456]] 1.0 4xs2 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 4XS2C Q9NWZ3 164 460 460.0 42P:501 Type1 Inactive DFGin 7.0029 14.1829 BLAminus -139.75, 179.01 62.21, 89.32 -110.78, 33.07 304.95, 93.8 -72.17, -33.09 in-out in 8.9033 Saltbr-out 4.9313 HRD-in -66.02, -47.7 71.09, 8.03 out-in-in SNCoii in-in ActLoopNT-in 2.7233 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.28, 151.46 APE9-dihe-na 147.22, -162.81 APE8-dihe-in -121.29, 101.83 APE8-rot-in 312.18 APE67-dihe-in -59.63, -26.92 -31.63, -51.62 APE12-dist-in 10.0762 APE11-dist-in 11.6006 APE10-dist-in 6.3679 APE9-dist-in 3.8956 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 C 301.0 284.0 13 30 26 4 [[183, 456]] 1.0 4xs2 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 4XS2D Q9NWZ3 164 459 460.0 42P:501 Type1 Inactive DFGin 7.0245 14.0469 BLAminus -139.44, 179.02 62.41, 89.35 -110.92, 32.6 305.38, 93.57 -72.63, -32.43 in-out in 8.8747 Saltbr-out 3.8974 HRD-in -65.82, -48.05 71.33, 8.53 out-in-in SNCoii in-in ActLoopNT-in 2.7249 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.39, 151.35 APE9-dihe-na 147.15, -162.94 APE8-dihe-in -121.47, 101.64 APE8-rot-in 312.23 APE67-dihe-in -59.77, -26.66 -31.67, -51.78 APE12-dist-in 10.2268 APE11-dist-in 11.5759 APE10-dist-in 6.3602 APE9-dist-in 3.9119 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 D 301.0 280.0 16 30 25 5 [[183, 456]] 1.0 4xs2 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: 42P

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4XS2A
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 4XS2A Q9NWZ3 163 459 460.0 42P:501 Type1 Inactive DFGin 6.9606 13.8175 BLAminus -139.83, 178.59 62.42, 89.38 -110.92, 32.37 305.3, 93.64 -72.26, -32.74 in-out in 8.1825 Saltbr-out 3.8869 HRD-in -66.15, -47.6 71.03, 8.51 out-in-in SNCoii in-in ActLoopNT-in 2.7232 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.97, 150.86 APE9-dihe-na 147.38, -162.61 APE8-dihe-in -121.73, 101.64 APE8-rot-in 312.4 APE67-dihe-in -60.48, -25.99 -31.6, -51.75 APE12-dist-in 10.2037 APE11-dist-in 11.5946 APE10-dist-in 6.3636 APE9-dist-in 3.8944 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 A 301.0 286.0 11 30 26 4 [[183, 456]] 1.0 4xs2 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 4XS2B Q9NWZ3 161 459 460.0 42P:501 Type1 Active DFGin 7.0765 13.8865 BLAminus -139.83, 178.8 62.52, 89.3 -111.11, 32.77 305.23, 93.71 -72.57, -32.59 in-in in 8.756 Saltbr-in 3.1307 HRD-in -65.98, -47.74 71.13, 8.5 in-in-in SNCiii in-in ActLoopNT-in 2.9047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.99, 146.9 APE9-dihe-na 152.01, -163.09 APE8-dihe-in -121.37, 101.63 APE8-rot-in 312.25 APE67-dihe-in -59.65, -26.7 -31.84, -51.61 APE12-dist-in 10.1773 APE11-dist-in 11.5738 APE10-dist-in 6.3629 APE9-dist-in 3.9021 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 B 301.0 281.0 18 30 23 7 [[183, 456]] 1.0 4xs2 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 4XS2C Q9NWZ3 164 460 460.0 42P:501 Type1 Inactive DFGin 7.0029 14.1829 BLAminus -139.75, 179.01 62.21, 89.32 -110.78, 33.07 304.95, 93.8 -72.17, -33.09 in-out in 8.9033 Saltbr-out 4.9313 HRD-in -66.02, -47.7 71.09, 8.03 out-in-in SNCoii in-in ActLoopNT-in 2.7233 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.28, 151.46 APE9-dihe-na 147.22, -162.81 APE8-dihe-in -121.29, 101.83 APE8-rot-in 312.18 APE67-dihe-in -59.63, -26.92 -31.63, -51.62 APE12-dist-in 10.0762 APE11-dist-in 11.6006 APE10-dist-in 6.3679 APE9-dist-in 3.8956 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 C 301.0 284.0 13 30 26 4 [[183, 456]] 1.0 4xs2 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 4XS2D Q9NWZ3 164 459 460.0 42P:501 Type1 Inactive DFGin 7.0245 14.0469 BLAminus -139.44, 179.02 62.41, 89.35 -110.92, 32.6 305.38, 93.57 -72.63, -32.43 in-out in 8.8747 Saltbr-out 3.8974 HRD-in -65.82, -48.05 71.33, 8.53 out-in-in SNCoii in-in ActLoopNT-in 2.7249 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.39, 151.35 APE9-dihe-na 147.15, -162.94 APE8-dihe-in -121.47, 101.64 APE8-rot-in 312.23 APE67-dihe-in -59.77, -26.66 -31.67, -51.78 APE12-dist-in 10.2268 APE11-dist-in 11.5759 APE10-dist-in 6.3602 APE9-dist-in 3.9119 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.73 0.265 0.285 D 301.0 280.0 16 30 25 5 [[183, 456]] 1.0 4xs2 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: 42P

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