Ligand: YJU

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% 8V2FA
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 8V2FA Q9NWZ3 163 459 460.0 YJU:60501 Type1 Inactive DFGin 6.8702 13.9122 BLAminus -130.46, 167.87 71.07, 88.15 -105.99, 14.17 306.33, 105.04 -63.43, -29.84 in-out in 8.7525 Saltbr-out 6.6469 HRD-in -75.59, -51.25 77.14, -1.53 out-in-in SNCoii in-in ActLoopNT-in 2.7595 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.46, 160.72 APE9-dihe-na 130.93, -172.56 APE8-dihe-in -109.8, 115.15 APE8-rot-in 307.79 APE67-dihe-in -64.1, -12.85 -49.44, -45.85 APE12-dist-in 9.9997 APE11-dist-in 11.6907 APE10-dist-in 6.2636 APE9-dist-in 3.8414 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 A 327.0 297.0 0 30 30 0 [[183, 456]] 1.0 8v2f TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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 8V2FB Q9NWZ3 162 459 460.0 YJU:60501 Type1 Inactive DFGin 6.791 13.9203 BLAminus -128.51, 168.52 71.95, 86.21 -105.97, 13.84 307.27, 104.55 -61.45, -29.65 in-out in 8.6134 Saltbr-out 4.6866 HRD-in -73.0, -49.88 77.29, -2.9 out-in-in SNCoii in-in ActLoopNT-in 2.7666 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.29, 159.97 APE9-dihe-na 133.0, -176.78 APE8-dihe-in -107.14, 116.65 APE8-rot-in 305.27 APE67-dihe-in -65.9, -12.4 -47.02, -47.36 APE12-dist-in 9.8602 APE11-dist-in 11.7515 APE10-dist-in 6.2634 APE9-dist-in 3.7427 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 B 327.0 298.0 0 30 30 0 [[183, 456]] 1.0 8v2f TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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 8V2FC Q9NWZ3 160 459 460.0 YJU:60501 Type1 Inactive DFGin 6.7489 13.9597 BLAminus -128.52, 169.77 69.32, 87.03 -106.73, 13.85 307.97, 104.15 -62.29, -28.75 in-out in 8.627 Saltbr-out 4.5488 HRD-in -75.43, -50.45 76.09, 0.63 out-in-in SNCoii in-in ActLoopNT-in 2.7812 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.14, 162.06 APE9-dihe-na 130.19, -174.89 APE8-dihe-in -108.77, 116.12 APE8-rot-in 305.67 APE67-dihe-in -65.6, -13.25 -47.01, -47.42 APE12-dist-in 9.8432 APE11-dist-in 11.6233 APE10-dist-in 6.0978 APE9-dist-in 3.7165 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 C 327.0 300.0 0 30 30 0 [[183, 456]] 1.0 8v2f TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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 8V2FD Q9NWZ3 163 459 460.0 YJU:60501 Type1 Inactive DFGin 6.86 14.0001 BLAminus -128.26, 168.26 72.7, 86.48 -106.33, 14.33 307.69, 103.31 -60.7, -31.69 in-out in 8.8572 Saltbr-out 6.2889 HRD-in -76.04, -50.4 78.3, -1.88 out-in-in SNCoii in-in ActLoopNT-in 2.7509 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.81, 159.65 APE9-dihe-na 129.85, -177.51 APE8-dihe-in -108.36, 116.16 APE8-rot-in 308.63 APE67-dihe-in -62.97, -13.61 -47.53, -48.41 APE12-dist-in 10.0513 APE11-dist-in 11.8961 APE10-dist-in 6.3897 APE9-dist-in 3.7603 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 D 327.0 294.0 3 30 27 3 [[183, 456]] 1.0 8v2f TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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: YJU

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% 8V2FA
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 8V2FA Q9NWZ3 163 459 460.0 YJU:60501 Type1 Inactive DFGin 6.8702 13.9122 BLAminus -130.46, 167.87 71.07, 88.15 -105.99, 14.17 306.33, 105.04 -63.43, -29.84 in-out in 8.7525 Saltbr-out 6.6469 HRD-in -75.59, -51.25 77.14, -1.53 out-in-in SNCoii in-in ActLoopNT-in 2.7595 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.46, 160.72 APE9-dihe-na 130.93, -172.56 APE8-dihe-in -109.8, 115.15 APE8-rot-in 307.79 APE67-dihe-in -64.1, -12.85 -49.44, -45.85 APE12-dist-in 9.9997 APE11-dist-in 11.6907 APE10-dist-in 6.2636 APE9-dist-in 3.8414 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 A 327.0 297.0 0 30 30 0 [[183, 456]] 1.0 8v2f Homo sapiens TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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 8V2FB Q9NWZ3 162 459 460.0 YJU:60501 Type1 Inactive DFGin 6.791 13.9203 BLAminus -128.51, 168.52 71.95, 86.21 -105.97, 13.84 307.27, 104.55 -61.45, -29.65 in-out in 8.6134 Saltbr-out 4.6866 HRD-in -73.0, -49.88 77.29, -2.9 out-in-in SNCoii in-in ActLoopNT-in 2.7666 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.29, 159.97 APE9-dihe-na 133.0, -176.78 APE8-dihe-in -107.14, 116.65 APE8-rot-in 305.27 APE67-dihe-in -65.9, -12.4 -47.02, -47.36 APE12-dist-in 9.8602 APE11-dist-in 11.7515 APE10-dist-in 6.2634 APE9-dist-in 3.7427 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 B 327.0 298.0 0 30 30 0 [[183, 456]] 1.0 8v2f Homo sapiens TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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 8V2FC Q9NWZ3 160 459 460.0 YJU:60501 Type1 Inactive DFGin 6.7489 13.9597 BLAminus -128.52, 169.77 69.32, 87.03 -106.73, 13.85 307.97, 104.15 -62.29, -28.75 in-out in 8.627 Saltbr-out 4.5488 HRD-in -75.43, -50.45 76.09, 0.63 out-in-in SNCoii in-in ActLoopNT-in 2.7812 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.14, 162.06 APE9-dihe-na 130.19, -174.89 APE8-dihe-in -108.77, 116.12 APE8-rot-in 305.67 APE67-dihe-in -65.6, -13.25 -47.01, -47.42 APE12-dist-in 9.8432 APE11-dist-in 11.6233 APE10-dist-in 6.0978 APE9-dist-in 3.7165 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 C 327.0 300.0 0 30 30 0 [[183, 456]] 1.0 8v2f Homo sapiens TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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 8V2FD Q9NWZ3 163 459 460.0 YJU:60501 Type1 Inactive DFGin 6.86 14.0001 BLAminus -128.26, 168.26 72.7, 86.48 -106.33, 14.33 307.69, 103.31 -60.7, -31.69 in-out in 8.8572 Saltbr-out 6.2889 HRD-in -76.04, -50.4 78.3, -1.88 out-in-in SNCoii in-in ActLoopNT-in 2.7509 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.81, 159.65 APE9-dihe-na 129.85, -177.51 APE8-dihe-in -108.36, 116.16 APE8-rot-in 308.63 APE67-dihe-in -62.97, -13.61 -47.53, -48.41 APE12-dist-in 10.0513 APE11-dist-in 11.8961 APE10-dist-in 6.3897 APE9-dist-in 3.7603 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.09 0.17 0.208 D 327.0 294.0 3 30 27 3 [[183, 456]] 1.0 8v2f Homo sapiens TKL_IRAK4_HUMAN TKL 5.5e-84 287.8 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: YJU

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