PDB: 4ZTL — TKL IRAK4_HUMAN

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% 4ZTLD

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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 4ZTLA Q9NWZ3 165 459 460.0 4S1:501 Type1 Active DFGin 7.2485 13.3584 BLAminus -117.91, 179.25 56.88, 97.36 -119.29, 25.75 307.86, 91.56 -68.49, -33.91 in-in in 8.0261 Saltbr-in 2.7435 HRD-in -66.32, -51.9 77.7, -4.43 in-in-in SNCiii in-in ActLoopNT-in 3.0325 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.4, 151.93 APE9-dihe-na 136.96, -167.86 APE8-dihe-in -115.05, 113.79 APE8-rot-in 311.31 APE67-dihe-in -63.05, -18.96 -38.32, -54.3 APE12-dist-in 9.9062 APE11-dist-in 11.7132 APE10-dist-in 6.3075 APE9-dist-in 3.7399 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 A 301.0 283.0 12 30 23 7 [[183, 456]] 1.0 4ztl 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 4ZTLB Q9NWZ3 165 459 460.0 4S1:501 Type1 Active DFGin 7.3657 13.505 BLAminus -117.83, 179.65 56.5, 97.62 -119.39, 25.81 307.63, 91.72 -68.25, -34.25 in-in in 8.4246 Saltbr-in 2.8595 HRD-in -65.94, -51.9 77.53, -3.95 in-in-in SNCiii in-in ActLoopNT-in 3.0208 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.04, 153.48 APE9-dihe-na 136.39, -168.5 APE8-dihe-in -114.87, 114.24 APE8-rot-in 310.51 APE67-dihe-in -62.87, -18.96 -38.44, -53.72 APE12-dist-in 9.9024 APE11-dist-in 11.6832 APE10-dist-in 6.2716 APE9-dist-in 3.725 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 B 301.0 272.0 23 30 24 6 [[183, 456]] 1.0 4ztl 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 4ZTLC Q9NWZ3 164 460 460.0 4S1:501 Type1 Active DFGin 7.1204 13.7358 BLAminus -116.77, 179.72 56.78, 97.16 -118.74, 26.23 307.1, 91.38 -67.56, -34.29 in-in in 8.5247 Saltbr-in 3.5919 HRD-in -66.63, -52.32 77.27, -3.33 in-in-in SNCiii in-in ActLoopNT-in 2.7645 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.73, 154.17 APE9-dihe-na 136.59, -168.35 APE8-dihe-in -115.05, 114.89 APE8-rot-in 308.8 APE67-dihe-in -61.95, -19.73 -39.55, -53.38 APE12-dist-in 9.6829 APE11-dist-in 11.6786 APE10-dist-in 6.2916 APE9-dist-in 3.7394 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 C 301.0 285.0 12 30 26 4 [[183, 456]] 1.0 4ztl 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 4ZTLD Q9NWZ3 164 460 460.0 4S1:501 Type1 Inactive DFGin 7.408 13.8584 BLAminus -116.1, 179.03 57.27, 97.63 -119.15, 26.56 307.31, 90.9 -69.0, -33.74 in-out in 8.834 Saltbr-out 4.0326 HRD-in -66.21, -53.23 78.61, -4.19 out-in-in SNCoii in-in ActLoopNT-in 2.759 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.29, 153.79 APE9-dihe-na 136.38, -168.38 APE8-dihe-in -115.43, 114.11 APE8-rot-in 309.49 APE67-dihe-in -62.14, -19.04 -39.35, -53.51 APE12-dist-in 9.8775 APE11-dist-in 11.6541 APE10-dist-in 6.2719 APE9-dist-in 3.739 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 D 301.0 288.0 9 30 26 4 [[183, 456]] 1.0 4ztl 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

PDB: 4ZTL — TKL IRAK4_HUMAN

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% 4ZTLD

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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 4ZTLA Q9NWZ3 165 459 460.0 4S1:501 Type1 Active DFGin 7.2485 13.3584 BLAminus -117.91, 179.25 56.88, 97.36 -119.29, 25.75 307.86, 91.56 -68.49, -33.91 in-in in 8.0261 Saltbr-in 2.7435 HRD-in -66.32, -51.9 77.7, -4.43 in-in-in SNCiii in-in ActLoopNT-in 3.0325 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.4, 151.93 APE9-dihe-na 136.96, -167.86 APE8-dihe-in -115.05, 113.79 APE8-rot-in 311.31 APE67-dihe-in -63.05, -18.96 -38.32, -54.3 APE12-dist-in 9.9062 APE11-dist-in 11.7132 APE10-dist-in 6.3075 APE9-dist-in 3.7399 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 A 301.0 283.0 12 30 23 7 [[183, 456]] 1.0 4ztl 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 4ZTLB Q9NWZ3 165 459 460.0 4S1:501 Type1 Active DFGin 7.3657 13.505 BLAminus -117.83, 179.65 56.5, 97.62 -119.39, 25.81 307.63, 91.72 -68.25, -34.25 in-in in 8.4246 Saltbr-in 2.8595 HRD-in -65.94, -51.9 77.53, -3.95 in-in-in SNCiii in-in ActLoopNT-in 3.0208 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.04, 153.48 APE9-dihe-na 136.39, -168.5 APE8-dihe-in -114.87, 114.24 APE8-rot-in 310.51 APE67-dihe-in -62.87, -18.96 -38.44, -53.72 APE12-dist-in 9.9024 APE11-dist-in 11.6832 APE10-dist-in 6.2716 APE9-dist-in 3.725 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 B 301.0 272.0 23 30 24 6 [[183, 456]] 1.0 4ztl 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 4ZTLC Q9NWZ3 164 460 460.0 4S1:501 Type1 Active DFGin 7.1204 13.7358 BLAminus -116.77, 179.72 56.78, 97.16 -118.74, 26.23 307.1, 91.38 -67.56, -34.29 in-in in 8.5247 Saltbr-in 3.5919 HRD-in -66.63, -52.32 77.27, -3.33 in-in-in SNCiii in-in ActLoopNT-in 2.7645 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.73, 154.17 APE9-dihe-na 136.59, -168.35 APE8-dihe-in -115.05, 114.89 APE8-rot-in 308.8 APE67-dihe-in -61.95, -19.73 -39.55, -53.38 APE12-dist-in 9.6829 APE11-dist-in 11.6786 APE10-dist-in 6.2916 APE9-dist-in 3.7394 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 C 301.0 285.0 12 30 26 4 [[183, 456]] 1.0 4ztl 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 4ZTLD Q9NWZ3 164 460 460.0 4S1:501 Type1 Inactive DFGin 7.408 13.8584 BLAminus -116.1, 179.03 57.27, 97.63 -119.15, 26.56 307.31, 90.9 -69.0, -33.74 in-out in 8.834 Saltbr-out 4.0326 HRD-in -66.21, -53.23 78.61, -4.19 out-in-in SNCoii in-in ActLoopNT-in 2.759 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.29, 153.79 APE9-dihe-na 136.38, -168.38 APE8-dihe-in -115.43, 114.11 APE8-rot-in 309.49 APE67-dihe-in -62.14, -19.04 -39.35, -53.51 APE12-dist-in 9.8775 APE11-dist-in 11.6541 APE10-dist-in 6.2719 APE9-dist-in 3.739 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.39 0.226 0.251 D 301.0 288.0 9 30 26 4 [[183, 456]] 1.0 4ztl 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

PDB: 4ZTL — 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

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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