Ligand: A1JDQ

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 9R9KD
DFGin BLAplus 1 25.0% 9R9KC
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 9R9KA Q9NWZ3 162 460 460.0 A1JDQ:501 Type1 Active DFGin 6.9262 14.0839 BLAminus -126.64, 177.21 56.19, 79.08 -95.18, 26.45 305.03, 89.52 -65.57, -28.51 in-in in 8.9061 Saltbr-in 3.1673 HRD-in -66.88, -49.66 78.32, -6.79 in-in-in SNCiii in-in ActLoopNT-in 2.8729 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.84, 161.94 APE9-dihe-na 133.27, -170.49 APE8-dihe-in -114.57, 114.37 APE8-rot-in 305.97 APE67-dihe-in -63.05, -13.23 -41.26, -51.52 APE12-dist-in 10.1327 APE11-dist-in 11.553 APE10-dist-in 6.1785 APE9-dist-in 3.6673 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 A 308.0 286.0 13 30 23 7 [[183, 456]] 1.0 9r9k TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 9R9KB Q9NWZ3 158 460 460.0 A1JDQ:501 Type1 Active DFGin 7.054 14.0094 BLAminus -121.37, 179.62 54.87, 78.76 -94.27, 23.12 304.61, 89.05 -66.48, -26.41 in-in in 9.139 Saltbr-in 3.5739 HRD-in -67.81, -49.8 79.17, -8.08 in-in-in SNCiii in-in ActLoopNT-in 2.8783 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.42, 161.33 APE9-dihe-na 132.97, -172.93 APE8-dihe-in -114.32, 113.72 APE8-rot-in 306.88 APE67-dihe-in -62.56, -13.28 -40.03, -52.35 APE12-dist-in 10.1603 APE11-dist-in 11.5171 APE10-dist-in 6.1401 APE9-dist-in 3.7276 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 B 308.0 290.0 13 30 23 7 [[183, 456]] 1.0 9r9k TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 9R9KD Q9NWZ3 164 459 460.0 A1JDQ:501 Type1 Inactive DFGin 7.2627 13.9086 BLAminus -127.82, -173.62 51.62, 79.16 -94.28, 25.38 306.25, 90.36 -67.69, -32.97 in-out in 9.2191 Saltbr-out 3.6855 HRD-in -67.18, -49.93 79.82, -9.59 out-in-in SNCoii in-in ActLoopNT-in 2.8601 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.33, 161.69 APE9-dihe-na 131.99, -171.77 APE8-dihe-in -113.49, 115.43 APE8-rot-in 306.97 APE67-dihe-in -64.18, -12.29 -42.85, -50.18 APE12-dist-in 10.2285 APE11-dist-in 11.6612 APE10-dist-in 6.2577 APE9-dist-in 3.6952 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 D 308.0 287.0 9 30 25 5 [[183, 456]] 1.0 9r9k TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 9R9KC Q9NWZ3 164 460 460.0 A1JDQ:501 Type1 Inactive DFGin 5.4273 13.7003 BLAplus -121.4, 174.92 52.96, 52.1 -113.08, 22.09 63.11, 100.55 -82.15, -34.43 in-in in 9.0044 Saltbr-in 3.5643 HRD-in -66.7, -51.75 79.98, -9.1 in-in-out SNCiio in-out ActLoopNT-in 2.8767 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -121.02, 159.56 APE9-dihe-na 135.26, -175.03 APE8-dihe-in -112.94, 115.11 APE8-rot-in 304.94 APE67-dihe-in -64.76, -11.9 -41.19, -51.22 APE12-dist-in 11.5011 APE11-dist-in 13.5883 APE10-dist-out 8.3502 APE9-dist-in 3.7071 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 C 308.0 287.0 10 30 25 5 [[183, 456]] 1.0 9r9k TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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: A1JDQ

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 9R9KD
DFGin BLAplus 1 25.0% 9R9KC
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 9R9KA Q9NWZ3 162 460 460.0 A1JDQ:501 Type1 Active DFGin 6.9262 14.0839 BLAminus -126.64, 177.21 56.19, 79.08 -95.18, 26.45 305.03, 89.52 -65.57, -28.51 in-in in 8.9061 Saltbr-in 3.1673 HRD-in -66.88, -49.66 78.32, -6.79 in-in-in SNCiii in-in ActLoopNT-in 2.8729 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.84, 161.94 APE9-dihe-na 133.27, -170.49 APE8-dihe-in -114.57, 114.37 APE8-rot-in 305.97 APE67-dihe-in -63.05, -13.23 -41.26, -51.52 APE12-dist-in 10.1327 APE11-dist-in 11.553 APE10-dist-in 6.1785 APE9-dist-in 3.6673 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 A 308.0 286.0 13 30 23 7 [[183, 456]] 1.0 9r9k Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 9R9KB Q9NWZ3 158 460 460.0 A1JDQ:501 Type1 Active DFGin 7.054 14.0094 BLAminus -121.37, 179.62 54.87, 78.76 -94.27, 23.12 304.61, 89.05 -66.48, -26.41 in-in in 9.139 Saltbr-in 3.5739 HRD-in -67.81, -49.8 79.17, -8.08 in-in-in SNCiii in-in ActLoopNT-in 2.8783 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.42, 161.33 APE9-dihe-na 132.97, -172.93 APE8-dihe-in -114.32, 113.72 APE8-rot-in 306.88 APE67-dihe-in -62.56, -13.28 -40.03, -52.35 APE12-dist-in 10.1603 APE11-dist-in 11.5171 APE10-dist-in 6.1401 APE9-dist-in 3.7276 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 B 308.0 290.0 13 30 23 7 [[183, 456]] 1.0 9r9k Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 9R9KD Q9NWZ3 164 459 460.0 A1JDQ:501 Type1 Inactive DFGin 7.2627 13.9086 BLAminus -127.82, -173.62 51.62, 79.16 -94.28, 25.38 306.25, 90.36 -67.69, -32.97 in-out in 9.2191 Saltbr-out 3.6855 HRD-in -67.18, -49.93 79.82, -9.59 out-in-in SNCoii in-in ActLoopNT-in 2.8601 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.33, 161.69 APE9-dihe-na 131.99, -171.77 APE8-dihe-in -113.49, 115.43 APE8-rot-in 306.97 APE67-dihe-in -64.18, -12.29 -42.85, -50.18 APE12-dist-in 10.2285 APE11-dist-in 11.6612 APE10-dist-in 6.2577 APE9-dist-in 3.6952 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 D 308.0 287.0 9 30 25 5 [[183, 456]] 1.0 9r9k Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 9R9KC Q9NWZ3 164 460 460.0 A1JDQ:501 Type1 Inactive DFGin 5.4273 13.7003 BLAplus -121.4, 174.92 52.96, 52.1 -113.08, 22.09 63.11, 100.55 -82.15, -34.43 in-in in 9.0044 Saltbr-in 3.5643 HRD-in -66.7, -51.75 79.98, -9.1 in-in-out SNCiio in-out ActLoopNT-in 2.8767 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -121.02, 159.56 APE9-dihe-na 135.26, -175.03 APE8-dihe-in -112.94, 115.11 APE8-rot-in 304.94 APE67-dihe-in -64.76, -11.9 -41.19, -51.22 APE12-dist-in 11.5011 APE11-dist-in 13.5883 APE10-dist-out 8.3502 APE9-dist-in 3.7071 None TPO345,SEP346 TPO345,SEP346 XRAY 1.87 0.216 0.242 C 308.0 287.0 10 30 25 5 [[183, 456]] 1.0 9r9k Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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: A1JDQ

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