Ligand: A1BWZ

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% 9NA6C
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 9NA6A Q9NWZ3 164 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.721 13.6876 BLAminus -137.72, 177.76 61.95, 81.18 -105.84, 21.75 314.25, 92.68 -68.32, -23.98 in-out in 8.8626 Saltbr-out 4.8157 HRD-in -69.93, -48.99 73.89, 7.21 out-in-in SNCoii in-in ActLoopNT-in 2.5351 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.84, 156.52 APE9-dihe-na 129.68, 177.66 APE8-dihe-in -93.15, 117.82 APE8-rot-in 311.66 APE67-dihe-in -64.52, -19.34 -62.24, -34.28 APE12-dist-in 10.4305 APE11-dist-in 11.758 APE10-dist-in 6.6341 APE9-dist-in 4.201 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 A 304.0 285.0 10 30 24 6 [[183, 456]] 1.0 9na6 TKL_IRAK4_HUMAN TKL 4.2e-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 9NA6B Q9NWZ3 166 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.8899 13.6553 BLAminus -131.83, -177.82 57.71, 78.74 -101.25, 28.45 309.13, 97.45 -66.82, -49.29 in-out in 8.7208 Saltbr-out 4.4197 HRD-in -71.05, -48.89 69.34, 8.62 out-in-in SNCoii in-in ActLoopNT-in 2.4766 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.78, 144.51 APE9-dihe-na 141.43, -168.74 APE8-dihe-in -110.53, 118.7 APE8-rot-in 308.86 APE67-dihe-in -63.4, -17.18 -58.15, -40.7 APE12-dist-in 10.2018 APE11-dist-in 11.9098 APE10-dist-in 6.4955 APE9-dist-in 4.2297 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 B 304.0 276.0 17 30 25 5 [[183, 456]] 1.0 9na6 TKL_IRAK4_HUMAN TKL 4.2e-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 9NA6C Q9NWZ3 165 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.8296 13.8219 BLAminus -137.21, 175.52 61.39, 85.88 -109.71, 19.68 311.56, 94.94 -67.31, -23.31 in-out in 8.9623 Saltbr-out 4.2037 HRD-in -70.95, -51.5 74.46, 4.63 out-in-in SNCoii in-in ActLoopNT-in 2.6532 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.0, 159.33 APE9-dihe-na 132.78, -176.71 APE8-dihe-in -104.67, 119.95 APE8-rot-in 309.79 APE67-dihe-in -64.37, -16.17 -62.59, -40.04 APE12-dist-in 10.1583 APE11-dist-in 11.6635 APE10-dist-in 6.4426 APE9-dist-in 4.1281 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 C 304.0 286.0 8 30 25 5 [[183, 456]] 1.0 9na6 TKL_IRAK4_HUMAN TKL 4.2e-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 9NA6D Q9NWZ3 165 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.9431 13.6177 BLAminus -133.67, 176.88 60.25, 73.83 -97.87, 24.38 314.47, 96.87 -71.99, -35.94 in-out in 8.7921 Saltbr-out 5.2844 HRD-in -66.69, -50.31 69.34, 8.63 out-in-in SNCoii in-in ActLoopNT-in 2.6485 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.39, 147.5 APE9-dihe-na 142.28, -170.25 APE8-dihe-in -108.07, 118.9 APE8-rot-in 310.29 APE67-dihe-in -66.51, -20.67 -56.64, -38.87 APE12-dist-in 10.1932 APE11-dist-in 11.7368 APE10-dist-in 6.4753 APE9-dist-in 4.3319 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 D 304.0 277.0 17 30 26 4 [[183, 456]] 1.0 9na6 TKL_IRAK4_HUMAN TKL 4.2e-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: A1BWZ

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% 9NA6C
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 9NA6A Q9NWZ3 164 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.721 13.6876 BLAminus -137.72, 177.76 61.95, 81.18 -105.84, 21.75 314.25, 92.68 -68.32, -23.98 in-out in 8.8626 Saltbr-out 4.8157 HRD-in -69.93, -48.99 73.89, 7.21 out-in-in SNCoii in-in ActLoopNT-in 2.5351 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.84, 156.52 APE9-dihe-na 129.68, 177.66 APE8-dihe-in -93.15, 117.82 APE8-rot-in 311.66 APE67-dihe-in -64.52, -19.34 -62.24, -34.28 APE12-dist-in 10.4305 APE11-dist-in 11.758 APE10-dist-in 6.6341 APE9-dist-in 4.201 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 A 304.0 285.0 10 30 24 6 [[183, 456]] 1.0 9na6 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-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 9NA6B Q9NWZ3 166 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.8899 13.6553 BLAminus -131.83, -177.82 57.71, 78.74 -101.25, 28.45 309.13, 97.45 -66.82, -49.29 in-out in 8.7208 Saltbr-out 4.4197 HRD-in -71.05, -48.89 69.34, 8.62 out-in-in SNCoii in-in ActLoopNT-in 2.4766 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.78, 144.51 APE9-dihe-na 141.43, -168.74 APE8-dihe-in -110.53, 118.7 APE8-rot-in 308.86 APE67-dihe-in -63.4, -17.18 -58.15, -40.7 APE12-dist-in 10.2018 APE11-dist-in 11.9098 APE10-dist-in 6.4955 APE9-dist-in 4.2297 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 B 304.0 276.0 17 30 25 5 [[183, 456]] 1.0 9na6 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-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 9NA6C Q9NWZ3 165 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.8296 13.8219 BLAminus -137.21, 175.52 61.39, 85.88 -109.71, 19.68 311.56, 94.94 -67.31, -23.31 in-out in 8.9623 Saltbr-out 4.2037 HRD-in -70.95, -51.5 74.46, 4.63 out-in-in SNCoii in-in ActLoopNT-in 2.6532 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.0, 159.33 APE9-dihe-na 132.78, -176.71 APE8-dihe-in -104.67, 119.95 APE8-rot-in 309.79 APE67-dihe-in -64.37, -16.17 -62.59, -40.04 APE12-dist-in 10.1583 APE11-dist-in 11.6635 APE10-dist-in 6.4426 APE9-dist-in 4.1281 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 C 304.0 286.0 8 30 25 5 [[183, 456]] 1.0 9na6 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-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 9NA6D Q9NWZ3 165 458 460.0 A1BWZ:501 Type1 Inactive DFGin 6.9431 13.6177 BLAminus -133.67, 176.88 60.25, 73.83 -97.87, 24.38 314.47, 96.87 -71.99, -35.94 in-out in 8.7921 Saltbr-out 5.2844 HRD-in -66.69, -50.31 69.34, 8.63 out-in-in SNCoii in-in ActLoopNT-in 2.6485 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.39, 147.5 APE9-dihe-na 142.28, -170.25 APE8-dihe-in -108.07, 118.9 APE8-rot-in 310.29 APE67-dihe-in -66.51, -20.67 -56.64, -38.87 APE12-dist-in 10.1932 APE11-dist-in 11.7368 APE10-dist-in 6.4753 APE9-dist-in 4.3319 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.14 0.215 0.246 D 304.0 277.0 17 30 26 4 [[183, 456]] 1.0 9na6 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-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: A1BWZ

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