Ligand: QL7

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% 6UYAB
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 6UYAA Q9NWZ3 163 458 460.0 QL7:501 Type1 Inactive DFGin 6.9118 14.0613 BLAminus -130.83, 174.58 66.33, 88.53 -109.61, 11.93 305.77, 104.97 -60.29, -30.37 in-out in 8.9208 Saltbr-out 5.3891 HRD-in -66.32, -52.06 75.53, -1.71 out-in-in SNCoii in-in ActLoopNT-in 2.7571 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.77, 155.18 APE9-dihe-na 131.38, -176.71 APE8-dihe-in -108.73, 111.35 APE8-rot-in 311.67 APE67-dihe-in -54.65, -22.72 -39.48, -51.06 APE12-dist-in 10.4706 APE11-dist-in 12.0745 APE10-dist-in 6.6655 APE9-dist-in 4.1482 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 A 320.0 288.0 8 30 25 5 [[183, 456]] 1.0 6uya TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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 6UYAB Q9NWZ3 165 458 460.0 QL7:502 Type1 Inactive DFGin 6.893 13.9843 BLAminus -128.71, 175.35 66.38, 92.59 -112.91, 7.52 303.04, 106.99 -58.83, -29.06 in-out in 9.0 Saltbr-out 5.0833 HRD-in -69.36, -50.91 73.85, 5.13 out-in-in SNCoii in-in ActLoopNT-in 2.8239 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.22, 142.0 APE9-dihe-na 152.09, 178.07 APE8-dihe-in -98.25, 109.05 APE8-rot-in 300.26 APE67-dihe-in -55.26, -18.41 -44.33, -48.88 APE12-dist-in 10.1551 APE11-dist-in 11.9953 APE10-dist-in 7.2576 APE9-dist-in 5.0479 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 B 320.0 290.0 4 30 26 4 [[183, 456]] 1.0 6uya TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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 6UYAC Q9NWZ3 162 458 460.0 QL7:501 Type1 Active DFGin 6.469 14.031 BLAminus -122.12, 175.34 66.82, 92.98 -113.93, 10.94 305.64, 93.58 -60.94, -31.46 in-in in 8.6103 Saltbr-in 3.4686 HRD-in -67.21, -51.18 74.76, -5.57 in-in-in SNCiii in-in ActLoopNT-in 2.7611 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.27, 154.57 APE9-dihe-na 136.39, -174.77 APE8-dihe-in -105.71, 113.39 APE8-rot-in 307.95 APE67-dihe-in -62.18, -16.27 -43.76, -50.15 APE12-dist-in 9.8803 APE11-dist-in 12.0547 APE10-dist-in 6.6597 APE9-dist-in 4.1698 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 C 320.0 278.0 19 30 24 6 [[183, 456]] 1.0 6uya TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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 6UYAD Q9NWZ3 162 458 460.0 QL7:501 Type1 Inactive DFGin 6.8191 13.7579 BLAminus -128.37, 176.07 66.47, 90.2 -111.03, 7.65 306.44, 101.65 -54.58, -29.97 in-out in 8.9183 Saltbr-out 4.6606 HRD-in -66.75, -50.48 73.09, -0.55 out-in-in SNCoii in-in ActLoopNT-in 2.8044 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.42, 146.21 APE9-dihe-na 142.04, -178.31 APE8-dihe-in -100.42, 112.16 APE8-rot-in 302.67 APE67-dihe-in -61.72, -16.37 -57.08, -31.92 APE12-dist-in 10.0883 APE11-dist-in 11.9674 APE10-dist-in 6.9354 APE9-dist-in 4.7438 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 D 320.0 291.0 6 30 24 6 [[183, 456]] 1.0 6uya TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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: QL7

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% 6UYAB
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 6UYAA Q9NWZ3 163 458 460.0 QL7:501 Type1 Inactive DFGin 6.9118 14.0613 BLAminus -130.83, 174.58 66.33, 88.53 -109.61, 11.93 305.77, 104.97 -60.29, -30.37 in-out in 8.9208 Saltbr-out 5.3891 HRD-in -66.32, -52.06 75.53, -1.71 out-in-in SNCoii in-in ActLoopNT-in 2.7571 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.77, 155.18 APE9-dihe-na 131.38, -176.71 APE8-dihe-in -108.73, 111.35 APE8-rot-in 311.67 APE67-dihe-in -54.65, -22.72 -39.48, -51.06 APE12-dist-in 10.4706 APE11-dist-in 12.0745 APE10-dist-in 6.6655 APE9-dist-in 4.1482 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 A 320.0 288.0 8 30 25 5 [[183, 456]] 1.0 6uya Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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 6UYAB Q9NWZ3 165 458 460.0 QL7:502 Type1 Inactive DFGin 6.893 13.9843 BLAminus -128.71, 175.35 66.38, 92.59 -112.91, 7.52 303.04, 106.99 -58.83, -29.06 in-out in 9.0 Saltbr-out 5.0833 HRD-in -69.36, -50.91 73.85, 5.13 out-in-in SNCoii in-in ActLoopNT-in 2.8239 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.22, 142.0 APE9-dihe-na 152.09, 178.07 APE8-dihe-in -98.25, 109.05 APE8-rot-in 300.26 APE67-dihe-in -55.26, -18.41 -44.33, -48.88 APE12-dist-in 10.1551 APE11-dist-in 11.9953 APE10-dist-in 7.2576 APE9-dist-in 5.0479 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 B 320.0 290.0 4 30 26 4 [[183, 456]] 1.0 6uya Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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 6UYAC Q9NWZ3 162 458 460.0 QL7:501 Type1 Active DFGin 6.469 14.031 BLAminus -122.12, 175.34 66.82, 92.98 -113.93, 10.94 305.64, 93.58 -60.94, -31.46 in-in in 8.6103 Saltbr-in 3.4686 HRD-in -67.21, -51.18 74.76, -5.57 in-in-in SNCiii in-in ActLoopNT-in 2.7611 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.27, 154.57 APE9-dihe-na 136.39, -174.77 APE8-dihe-in -105.71, 113.39 APE8-rot-in 307.95 APE67-dihe-in -62.18, -16.27 -43.76, -50.15 APE12-dist-in 9.8803 APE11-dist-in 12.0547 APE10-dist-in 6.6597 APE9-dist-in 4.1698 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 C 320.0 278.0 19 30 24 6 [[183, 456]] 1.0 6uya Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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 6UYAD Q9NWZ3 162 458 460.0 QL7:501 Type1 Inactive DFGin 6.8191 13.7579 BLAminus -128.37, 176.07 66.47, 90.2 -111.03, 7.65 306.44, 101.65 -54.58, -29.97 in-out in 8.9183 Saltbr-out 4.6606 HRD-in -66.75, -50.48 73.09, -0.55 out-in-in SNCoii in-in ActLoopNT-in 2.8044 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.42, 146.21 APE9-dihe-na 142.04, -178.31 APE8-dihe-in -100.42, 112.16 APE8-rot-in 302.67 APE67-dihe-in -61.72, -16.37 -57.08, -31.92 APE12-dist-in 10.0883 APE11-dist-in 11.9674 APE10-dist-in 6.9354 APE9-dist-in 4.7438 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.74 0.182 0.207 D 320.0 291.0 6 30 24 6 [[183, 456]] 1.0 6uya Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-84 287.9 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: QL7

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