Ligand: 6QY

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% 5K72A
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 5K72A Q9NWZ3 164 458 460.0 6QY:503 Type1 Active DFGin 6.8759 14.7895 BLAminus -129.6, 174.26 62.65, 87.42 -104.23, 19.84 308.29, 101.45 -64.94, -30.93 in-in in 8.9263 Saltbr-in 3.2928 HRD-in -66.84, -51.14 79.92, -9.54 in-in-in SNCiii in-in ActLoopNT-in 2.8541 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.42, 150.12 APE9-dihe-na 136.94, -172.18 APE8-dihe-in -106.38, 111.25 APE8-rot-in 311.69 APE67-dihe-in -67.35, -18.0 -44.33, -42.84 APE12-dist-in 10.1791 APE11-dist-in 11.8759 APE10-dist-in 6.4163 APE9-dist-in 4.057 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 A 301.0 279.0 16 30 23 7 [[183, 456]] 1.0 5k72 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 5K72B Q9NWZ3 165 458 460.0 6QY:504 Type1 None DFGin 6.9184 14.7968 BLAminus -126.83, 172.54 63.1, 86.46 -103.47, 19.92 308.93, 101.56 -64.92, -35.48 in-in in 8.8719 Saltbr-in 3.0871 HRD-in -67.63, -51.12 79.83, -9.89 in-in-none SNCiin in-none ActLoopNT-in 2.8692 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, 146.4 APE9-dihe-na 138.09, -173.14 APE8-dihe-in -106.76, 111.81 APE8-rot-in 311.41 APE67-dihe-in -65.66, -17.88 -41.88, -47.58 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.4064 APE9-dist-in 4.0839 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 B 301.0 267.0 27 30 16 14 [[183, 456]] 1.0 5k72 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 5K72C Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.8592 14.8448 BLAminus -130.1, 165.54 64.05, 88.04 -103.72, 18.66 308.67, 101.27 -64.81, -28.57 in-in in 9.1235 Saltbr-in 3.0215 HRD-in -67.68, -49.88 78.27, -10.5 in-in-in SNCiii in-in ActLoopNT-in 2.8443 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.88, 146.9 APE9-dihe-na 138.11, -173.71 APE8-dihe-in -107.12, 113.22 APE8-rot-in 310.36 APE67-dihe-in -67.72, -16.57 -43.16, -46.42 APE12-dist-in 10.0365 APE11-dist-in 11.8165 APE10-dist-in 6.3526 APE9-dist-in 4.0558 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 C 301.0 279.0 16 30 23 7 [[183, 456]] 1.0 5k72 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 5K72D Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.8499 14.806 BLAminus -126.68, 172.94 63.42, 86.83 -103.81, 18.76 308.64, 101.29 -64.45, -29.98 in-in in 9.1769 Saltbr-in 3.1013 HRD-in -66.74, -50.47 78.85, -9.74 in-in-in SNCiii in-in ActLoopNT-in 2.8486 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.97, 148.93 APE9-dihe-na 136.71, -173.44 APE8-dihe-in -107.04, 113.0 APE8-rot-in 309.77 APE67-dihe-in -66.49, -17.75 -42.69, -46.95 APE12-dist-in 10.1232 APE11-dist-in 11.894 APE10-dist-in 6.3939 APE9-dist-in 3.9898 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 D 301.0 278.0 17 30 23 7 [[183, 456]] 1.0 5k72 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: 6QY

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% 5K72A
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 5K72A Q9NWZ3 164 458 460.0 6QY:503 Type1 Active DFGin 6.8759 14.7895 BLAminus -129.6, 174.26 62.65, 87.42 -104.23, 19.84 308.29, 101.45 -64.94, -30.93 in-in in 8.9263 Saltbr-in 3.2928 HRD-in -66.84, -51.14 79.92, -9.54 in-in-in SNCiii in-in ActLoopNT-in 2.8541 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.42, 150.12 APE9-dihe-na 136.94, -172.18 APE8-dihe-in -106.38, 111.25 APE8-rot-in 311.69 APE67-dihe-in -67.35, -18.0 -44.33, -42.84 APE12-dist-in 10.1791 APE11-dist-in 11.8759 APE10-dist-in 6.4163 APE9-dist-in 4.057 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 A 301.0 279.0 16 30 23 7 [[183, 456]] 1.0 5k72 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 5K72B Q9NWZ3 165 458 460.0 6QY:504 Type1 None DFGin 6.9184 14.7968 BLAminus -126.83, 172.54 63.1, 86.46 -103.47, 19.92 308.93, 101.56 -64.92, -35.48 in-in in 8.8719 Saltbr-in 3.0871 HRD-in -67.63, -51.12 79.83, -9.89 in-in-none SNCiin in-none ActLoopNT-in 2.8692 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, 146.4 APE9-dihe-na 138.09, -173.14 APE8-dihe-in -106.76, 111.81 APE8-rot-in 311.41 APE67-dihe-in -65.66, -17.88 -41.88, -47.58 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.4064 APE9-dist-in 4.0839 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 B 301.0 267.0 27 30 16 14 [[183, 456]] 1.0 5k72 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 5K72C Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.8592 14.8448 BLAminus -130.1, 165.54 64.05, 88.04 -103.72, 18.66 308.67, 101.27 -64.81, -28.57 in-in in 9.1235 Saltbr-in 3.0215 HRD-in -67.68, -49.88 78.27, -10.5 in-in-in SNCiii in-in ActLoopNT-in 2.8443 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.88, 146.9 APE9-dihe-na 138.11, -173.71 APE8-dihe-in -107.12, 113.22 APE8-rot-in 310.36 APE67-dihe-in -67.72, -16.57 -43.16, -46.42 APE12-dist-in 10.0365 APE11-dist-in 11.8165 APE10-dist-in 6.3526 APE9-dist-in 4.0558 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 C 301.0 279.0 16 30 23 7 [[183, 456]] 1.0 5k72 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 5K72D Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.8499 14.806 BLAminus -126.68, 172.94 63.42, 86.83 -103.81, 18.76 308.64, 101.29 -64.45, -29.98 in-in in 9.1769 Saltbr-in 3.1013 HRD-in -66.74, -50.47 78.85, -9.74 in-in-in SNCiii in-in ActLoopNT-in 2.8486 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.97, 148.93 APE9-dihe-na 136.71, -173.44 APE8-dihe-in -107.04, 113.0 APE8-rot-in 309.77 APE67-dihe-in -66.49, -17.75 -42.69, -46.95 APE12-dist-in 10.1232 APE11-dist-in 11.894 APE10-dist-in 6.3939 APE9-dist-in 3.9898 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 D 301.0 278.0 17 30 23 7 [[183, 456]] 1.0 5k72 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: 6QY

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