PDB: 2NRY — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 2NRYC
DFGin BLBminus 2 50.0% 2NRYA
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 2NRYC Q9NWZ3 164 458 460.0 STU:503 Type1 Active DFGin 7.3959 13.9911 BLAminus -129.87, 177.33 66.53, 79.75 -106.36, 3.08 302.75, 99.86 -41.96, -44.4 in-in in 9.0503 Saltbr-in 2.876 HRD-in -69.99, -46.9 74.7, -3.92 in-in-in SNCiii in-in ActLoopNT-in 2.924 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.06, 166.37 APE9-dihe-na 122.8, -162.09 APE8-dihe-in -122.72, 120.05 APE8-rot-in 297.38 APE67-dihe-in -61.23, -20.14 -50.62, -47.6 APE12-dist-in 11.8451 APE11-dist-in 12.224 APE10-dist-in 6.9995 APE9-dist-in 3.8635 None TPO345 TPO345 XRAY 2.15 0.212 0.261 C 307.0 281.0 14 30 26 4 [[183, 456]] 1.0 2nry 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 2NRYD Q9NWZ3 164 460 460.0 STU:501 Type1 Active DFGin 7.1034 14.6012 BLAminus -126.69, 167.35 70.82, 64.69 -93.05, 43.05 345.42, 126.85 -89.85, -18.2 in-in in 9.1762 Saltbr-in 2.9498 HRD-in -59.6, -55.9 83.92, -5.49 in-in-in SNCiii in-in ActLoopNT-in 2.7235 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.15, 176.95 APE9-dihe-na 112.24, -167.34 APE8-dihe-in -128.61, 119.15 APE8-rot-in 302.8 APE67-dihe-in -66.3, -17.75 -48.9, -47.71 APE12-dist-in 10.0254 APE11-dist-in 11.6148 APE10-dist-in 6.2715 APE9-dist-in 3.5382 None TPO345 TPO345 XRAY 2.15 0.212 0.261 D 307.0 283.0 14 30 25 5 [[183, 456]] 1.0 2nry 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 2NRYA Q9NWZ3 164 458 460.0 STU:504 Type1 Inactive DFGin 7.0388 13.8495 BLBminus -119.68, 177.11 59.06, 71.69 -112.23, -126.05 350.98, 70.79 78.1, -70.69 in-in in 9.0302 Saltbr-in 2.7579 HRD-in -65.27, -50.09 77.33, -7.45 in-in-in SNCiii in-in ActLoopNT-in 2.7537 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.61, 161.22 APE9-dihe-na 128.42, -175.43 APE8-dihe-in -120.1, 117.97 APE8-rot-in 299.02 APE67-dihe-in -57.48, -21.15 -43.86, -55.05 APE12-dist-in 10.9882 APE11-dist-in 13.0534 APE10-dist-in 7.6703 APE9-dist-in 3.6824 None TPO345 TPO345 XRAY 2.15 0.212 0.261 A 307.0 287.0 8 30 25 5 [[183, 456]] 1.0 2nry 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 2NRYB Q9NWZ3 164 458 460.0 STU:502 Type1 Inactive DFGin 7.3303 14.2109 BLBminus -121.91, 179.32 63.59, 83.43 -104.91, -160.11 313.36, 100.13 93.41, -69.05 in-out in 8.9923 Saltbr-out 3.7751 HRD-in -74.38, -53.26 85.42, -10.52 out-in-in SNCoii in-in ActLoopNT-in 2.61 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.77, 162.03 APE9-dihe-na 124.37, -168.49 APE8-dihe-in -121.78, 111.1 APE8-rot-in 307.1 APE67-dihe-in -48.86, -28.56 -36.36, -56.5 APE12-dist-in 9.9324 APE11-dist-in 12.1379 APE10-dist-in 6.4849 APE9-dist-in 3.62 None TPO345 TPO345 XRAY 2.15 0.212 0.261 B 307.0 287.0 8 30 25 5 [[183, 456]] 1.0 2nry 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

PDB: 2NRY — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 2NRYC
DFGin BLBminus 2 50.0% 2NRYA
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 2NRYC Q9NWZ3 164 458 460.0 STU:503 Type1 Active DFGin 7.3959 13.9911 BLAminus -129.87, 177.33 66.53, 79.75 -106.36, 3.08 302.75, 99.86 -41.96, -44.4 in-in in 9.0503 Saltbr-in 2.876 HRD-in -69.99, -46.9 74.7, -3.92 in-in-in SNCiii in-in ActLoopNT-in 2.924 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.06, 166.37 APE9-dihe-na 122.8, -162.09 APE8-dihe-in -122.72, 120.05 APE8-rot-in 297.38 APE67-dihe-in -61.23, -20.14 -50.62, -47.6 APE12-dist-in 11.8451 APE11-dist-in 12.224 APE10-dist-in 6.9995 APE9-dist-in 3.8635 None TPO345 TPO345 XRAY 2.15 0.212 0.261 C 307.0 281.0 14 30 26 4 [[183, 456]] 1.0 2nry 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 2NRYD Q9NWZ3 164 460 460.0 STU:501 Type1 Active DFGin 7.1034 14.6012 BLAminus -126.69, 167.35 70.82, 64.69 -93.05, 43.05 345.42, 126.85 -89.85, -18.2 in-in in 9.1762 Saltbr-in 2.9498 HRD-in -59.6, -55.9 83.92, -5.49 in-in-in SNCiii in-in ActLoopNT-in 2.7235 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.15, 176.95 APE9-dihe-na 112.24, -167.34 APE8-dihe-in -128.61, 119.15 APE8-rot-in 302.8 APE67-dihe-in -66.3, -17.75 -48.9, -47.71 APE12-dist-in 10.0254 APE11-dist-in 11.6148 APE10-dist-in 6.2715 APE9-dist-in 3.5382 None TPO345 TPO345 XRAY 2.15 0.212 0.261 D 307.0 283.0 14 30 25 5 [[183, 456]] 1.0 2nry 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 2NRYA Q9NWZ3 164 458 460.0 STU:504 Type1 Inactive DFGin 7.0388 13.8495 BLBminus -119.68, 177.11 59.06, 71.69 -112.23, -126.05 350.98, 70.79 78.1, -70.69 in-in in 9.0302 Saltbr-in 2.7579 HRD-in -65.27, -50.09 77.33, -7.45 in-in-in SNCiii in-in ActLoopNT-in 2.7537 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.61, 161.22 APE9-dihe-na 128.42, -175.43 APE8-dihe-in -120.1, 117.97 APE8-rot-in 299.02 APE67-dihe-in -57.48, -21.15 -43.86, -55.05 APE12-dist-in 10.9882 APE11-dist-in 13.0534 APE10-dist-in 7.6703 APE9-dist-in 3.6824 None TPO345 TPO345 XRAY 2.15 0.212 0.261 A 307.0 287.0 8 30 25 5 [[183, 456]] 1.0 2nry 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 2NRYB Q9NWZ3 164 458 460.0 STU:502 Type1 Inactive DFGin 7.3303 14.2109 BLBminus -121.91, 179.32 63.59, 83.43 -104.91, -160.11 313.36, 100.13 93.41, -69.05 in-out in 8.9923 Saltbr-out 3.7751 HRD-in -74.38, -53.26 85.42, -10.52 out-in-in SNCoii in-in ActLoopNT-in 2.61 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.77, 162.03 APE9-dihe-na 124.37, -168.49 APE8-dihe-in -121.78, 111.1 APE8-rot-in 307.1 APE67-dihe-in -48.86, -28.56 -36.36, -56.5 APE12-dist-in 9.9324 APE11-dist-in 12.1379 APE10-dist-in 6.4849 APE9-dist-in 3.62 None TPO345 TPO345 XRAY 2.15 0.212 0.261 B 307.0 287.0 8 30 25 5 [[183, 456]] 1.0 2nry 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

PDB: 2NRY — TKL IRAK4_HUMAN

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