Ligand: 6YE

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% 5KX8C
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 5KX8A Q9NWZ3 163 459 460.0 6YE:501 Type1 Active DFGin 6.7791 13.4576 BLAminus -136.36, -178.34 58.1, 85.73 -110.83, 15.69 315.13, 102.91 -62.12, -34.73 in-in in 8.5225 Saltbr-in 3.3223 HRD-in -62.27, -51.5 76.44, -1.78 in-in-in SNCiii in-in ActLoopNT-in 2.6572 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.83, 147.8 APE9-dihe-na 142.35, -171.73 APE8-dihe-in -109.78, 108.72 APE8-rot-in 309.05 APE67-dihe-in -63.27, -20.61 -34.23, -50.93 APE12-dist-in 9.9822 APE11-dist-in 11.7043 APE10-dist-in 6.474 APE9-dist-in 3.9523 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 A 301.0 288.0 9 30 26 4 [[183, 456]] 1.0 5kx8 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 5KX8B Q9NWZ3 161 459 460.0 6YE:501 Type1 Active DFGin 6.8282 13.5255 BLAminus -135.84, -178.32 58.25, 85.42 -111.0, 16.47 315.08, 103.62 -62.58, -35.26 in-in in 8.5718 Saltbr-in 2.7685 HRD-in -60.81, -51.76 76.06, -1.89 in-in-in SNCiii in-in ActLoopNT-in 2.9656 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.8, 147.8 APE9-dihe-na 142.56, -171.32 APE8-dihe-in -109.67, 108.54 APE8-rot-in 308.6 APE67-dihe-in -62.57, -21.11 -33.86, -51.07 APE12-dist-in 9.7078 APE11-dist-in 11.7045 APE10-dist-in 6.4667 APE9-dist-in 3.945 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 B 301.0 281.0 18 30 24 6 [[183, 456]] 1.0 5kx8 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 5KX8C Q9NWZ3 164 460 460.0 6YE:501 Type1 Inactive DFGin 6.7104 13.6602 BLAminus -135.77, -177.74 57.62, 85.63 -110.73, 16.78 314.9, 103.1 -62.24, -34.76 in-out in 8.5149 Saltbr-out 5.49 HRD-in -63.77, -49.86 77.11, -1.48 out-in-in SNCoii in-in ActLoopNT-in 2.6554 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.71, 147.84 APE9-dihe-na 142.61, -171.78 APE8-dihe-in -109.37, 108.08 APE8-rot-in 308.72 APE67-dihe-in -61.99, -21.4 -33.87, -50.94 APE12-dist-in 9.982 APE11-dist-in 11.7199 APE10-dist-in 6.4828 APE9-dist-in 3.943 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 C 301.0 290.0 7 30 26 4 [[183, 456]] 1.0 5kx8 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 5KX8D Q9NWZ3 164 459 460.0 6YE:501 Type1 Active DFGin 6.8858 13.4854 BLAminus -135.91, -178.68 58.98, 85.41 -110.88, 16.35 315.61, 103.98 -63.33, -34.97 in-in in 8.1882 Saltbr-in 3.2202 HRD-in -64.45, -52.27 77.75, -2.01 in-in-in SNCiii in-in ActLoopNT-in 2.6653 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.53, 147.84 APE9-dihe-na 141.85, -171.68 APE8-dihe-in -109.93, 107.97 APE8-rot-in 309.23 APE67-dihe-in -62.28, -20.43 -33.87, -50.84 APE12-dist-in 10.0055 APE11-dist-in 11.708 APE10-dist-in 6.4759 APE9-dist-in 3.9673 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 D 301.0 286.0 10 30 25 5 [[183, 456]] 1.0 5kx8 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: 6YE

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% 5KX8C
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 5KX8A Q9NWZ3 163 459 460.0 6YE:501 Type1 Active DFGin 6.7791 13.4576 BLAminus -136.36, -178.34 58.1, 85.73 -110.83, 15.69 315.13, 102.91 -62.12, -34.73 in-in in 8.5225 Saltbr-in 3.3223 HRD-in -62.27, -51.5 76.44, -1.78 in-in-in SNCiii in-in ActLoopNT-in 2.6572 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.83, 147.8 APE9-dihe-na 142.35, -171.73 APE8-dihe-in -109.78, 108.72 APE8-rot-in 309.05 APE67-dihe-in -63.27, -20.61 -34.23, -50.93 APE12-dist-in 9.9822 APE11-dist-in 11.7043 APE10-dist-in 6.474 APE9-dist-in 3.9523 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 A 301.0 288.0 9 30 26 4 [[183, 456]] 1.0 5kx8 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 5KX8B Q9NWZ3 161 459 460.0 6YE:501 Type1 Active DFGin 6.8282 13.5255 BLAminus -135.84, -178.32 58.25, 85.42 -111.0, 16.47 315.08, 103.62 -62.58, -35.26 in-in in 8.5718 Saltbr-in 2.7685 HRD-in -60.81, -51.76 76.06, -1.89 in-in-in SNCiii in-in ActLoopNT-in 2.9656 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.8, 147.8 APE9-dihe-na 142.56, -171.32 APE8-dihe-in -109.67, 108.54 APE8-rot-in 308.6 APE67-dihe-in -62.57, -21.11 -33.86, -51.07 APE12-dist-in 9.7078 APE11-dist-in 11.7045 APE10-dist-in 6.4667 APE9-dist-in 3.945 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 B 301.0 281.0 18 30 24 6 [[183, 456]] 1.0 5kx8 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 5KX8C Q9NWZ3 164 460 460.0 6YE:501 Type1 Inactive DFGin 6.7104 13.6602 BLAminus -135.77, -177.74 57.62, 85.63 -110.73, 16.78 314.9, 103.1 -62.24, -34.76 in-out in 8.5149 Saltbr-out 5.49 HRD-in -63.77, -49.86 77.11, -1.48 out-in-in SNCoii in-in ActLoopNT-in 2.6554 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.71, 147.84 APE9-dihe-na 142.61, -171.78 APE8-dihe-in -109.37, 108.08 APE8-rot-in 308.72 APE67-dihe-in -61.99, -21.4 -33.87, -50.94 APE12-dist-in 9.982 APE11-dist-in 11.7199 APE10-dist-in 6.4828 APE9-dist-in 3.943 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 C 301.0 290.0 7 30 26 4 [[183, 456]] 1.0 5kx8 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 5KX8D Q9NWZ3 164 459 460.0 6YE:501 Type1 Active DFGin 6.8858 13.4854 BLAminus -135.91, -178.68 58.98, 85.41 -110.88, 16.35 315.61, 103.98 -63.33, -34.97 in-in in 8.1882 Saltbr-in 3.2202 HRD-in -64.45, -52.27 77.75, -2.01 in-in-in SNCiii in-in ActLoopNT-in 2.6653 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.53, 147.84 APE9-dihe-na 141.85, -171.68 APE8-dihe-in -109.93, 107.97 APE8-rot-in 309.23 APE67-dihe-in -62.28, -20.43 -33.87, -50.84 APE12-dist-in 10.0055 APE11-dist-in 11.708 APE10-dist-in 6.4759 APE9-dist-in 3.9673 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.671 0.206 0.233 D 301.0 286.0 10 30 25 5 [[183, 456]] 1.0 5kx8 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: 6YE

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