PDB: 5K72 — 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% 5K72A

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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 5K72A Q9NWZ3 164 458 460.0 6QY:503 Type1 Active DFGin 6.876 14.79 BLAminus -129.6, 174.26 62.65, 87.42 -104.23, 19.84 308.29, 101.45 -64.94, -30.93 in-in in 8.926 Saltbr-in 3.293 HRD-in -66.84, -51.14 79.92, -9.54 in-in-in SNCiii in-in ActLoopNT-in 2.854 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 10.179 APE11-dist-in 11.876 APE10-dist-in 6.416 APE9-dist-in 4.057 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 A 301 279 16 0 0 7 [[183, 456]] 1.0 5k72 TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5K72B Q9NWZ3 165 458 460.0 6QY:504 Type1 None DFGin 6.918 14.797 BLAminus -126.83, 172.54 63.1, 86.46 -103.47, 19.92 308.93, 101.56 -64.92, -35.48 in-in in 8.872 Saltbr-in 3.087 HRD-in -67.63, -51.12 79.83, -9.89 in-in-none SNCiin in-none ActLoopNT-in 2.869 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 6.406 APE9-dist-in 4.084 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 B 301 267 27 0 0 14 [[183, 456]] 1.0 5k72 TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5K72C Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.859 14.845 BLAminus -130.1, 165.54 64.05, 88.04 -103.72, 18.66 308.67, 101.27 -64.81, -28.57 in-in in 9.123 Saltbr-in 3.022 HRD-in -67.68, -49.88 78.27, -10.5 in-in-in SNCiii in-in ActLoopNT-in 2.844 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 10.037 APE11-dist-in 11.816 APE10-dist-in 6.353 APE9-dist-in 4.056 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 C 301 279 16 0 0 7 [[183, 456]] 1.0 5k72 TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5K72D Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.85 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 9.177 Saltbr-in 3.101 HRD-in -66.74, -50.47 78.85, -9.74 in-in-in SNCiii in-in ActLoopNT-in 2.849 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 10.123 APE11-dist-in 11.894 APE10-dist-in 6.394 APE9-dist-in 3.99 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 D 301 278 17 0 0 7 [[183, 456]] 1.0 5k72 TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

PDB: 5K72 — 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% 5K72A

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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 5K72A Q9NWZ3 164 458 460.0 6QY:503 Type1 Active DFGin 6.876 14.79 BLAminus -129.6, 174.26 62.65, 87.42 -104.23, 19.84 308.29, 101.45 -64.94, -30.93 in-in in 8.926 Saltbr-in 3.293 HRD-in -66.84, -51.14 79.92, -9.54 in-in-in SNCiii in-in ActLoopNT-in 2.854 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 10.179 APE11-dist-in 11.876 APE10-dist-in 6.416 APE9-dist-in 4.057 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 A 301 279 16 0 0 7 [[183, 456]] 1.0 5k72 Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5K72B Q9NWZ3 165 458 460.0 6QY:504 Type1 None DFGin 6.918 14.797 BLAminus -126.83, 172.54 63.1, 86.46 -103.47, 19.92 308.93, 101.56 -64.92, -35.48 in-in in 8.872 Saltbr-in 3.087 HRD-in -67.63, -51.12 79.83, -9.89 in-in-none SNCiin in-none ActLoopNT-in 2.869 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 6.406 APE9-dist-in 4.084 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 B 301 267 27 0 0 14 [[183, 456]] 1.0 5k72 Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5K72C Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.859 14.845 BLAminus -130.1, 165.54 64.05, 88.04 -103.72, 18.66 308.67, 101.27 -64.81, -28.57 in-in in 9.123 Saltbr-in 3.022 HRD-in -67.68, -49.88 78.27, -10.5 in-in-in SNCiii in-in ActLoopNT-in 2.844 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 10.037 APE11-dist-in 11.816 APE10-dist-in 6.353 APE9-dist-in 4.056 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 C 301 279 16 0 0 7 [[183, 456]] 1.0 5k72 Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5K72D Q9NWZ3 164 458 460.0 6QY:501 Type1 Active DFGin 6.85 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 9.177 Saltbr-in 3.101 HRD-in -66.74, -50.47 78.85, -9.74 in-in-in SNCiii in-in ActLoopNT-in 2.849 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 10.123 APE11-dist-in 11.894 APE10-dist-in 6.394 APE9-dist-in 3.99 None TPO345,SEP346 TPO345,SEP346 XRAY 2.22 0.215 0.225 D 301 278 17 0 0 7 [[183, 456]] 1.0 5k72 Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

PDB: 5K72 — 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