| 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 | 8SCEA | Q9NWZ3 | 164 | 459 | 460.0 | ZVD:501 | Type1 | Inactive | DFGin | 6.8097 | 14.0165 | BLAminus | -126.47, -178.7 | 59.91, 82.58 | -102.13, 13.59 | 306.65, 101.09 | -59.02, -31.96 | in-out | in | 8.9343 | Saltbr-out | 3.9405 | HRD-in | -69.45, -51.74 | 77.12, -3.19 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7833 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.78, 152.45 | APE9-dihe-na | 139.2, -169.88 | APE8-dihe-in | -111.37, 109.73 | APE8-rot-in | 310.53 | APE67-dihe-in | -61.52, -17.0 | -52.93, -40.4 | APE12-dist-in | 10.3682 | APE11-dist-in | 11.7487 | APE10-dist-in | 6.5372 | APE9-dist-in | 4.2328 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | A | 305.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8sce | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 8SCEB | Q9NWZ3 | 164 | 458 | 460.0 | ZVD:501 | Type1 | Active | DFGin | 6.8725 | 13.8448 | BLAminus | -128.59, -178.77 | 60.92, 81.27 | -102.45, 15.1 | 307.63, 100.59 | -60.68, -32.26 | in-in | in | 8.6415 | Saltbr-in | 3.2068 | HRD-in | -69.44, -52.46 | 77.81, -3.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7901 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.77, 152.58 | APE9-dihe-na | 139.09, -170.98 | APE8-dihe-in | -109.95, 109.6 | APE8-rot-in | 309.72 | APE67-dihe-in | -61.76, -17.48 | -53.14, -40.37 | APE12-dist-in | 10.5158 | APE11-dist-in | 11.7603 | APE10-dist-in | 6.561 | APE9-dist-in | 4.2252 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | B | 305.0 | 287.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8sce | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 8SCED | Q9NWZ3 | 161 | 459 | 460.0 | ZVD:502 | Type1 | Active | DFGin | 6.7762 | 13.9041 | BLAminus | -121.43, -179.64 | 62.94, 81.94 | -102.76, 13.61 | 305.86, 101.34 | -60.3, -31.77 | in-in | in | 8.6314 | Saltbr-in | 3.283 | HRD-in | -70.01, -51.91 | 77.74, -5.02 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7748 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.26, 152.99 | APE9-dihe-na | 137.91, -170.79 | APE8-dihe-in | -110.55, 110.46 | APE8-rot-in | 310.04 | APE67-dihe-in | -60.43, -17.98 | -47.93, -46.75 | APE12-dist-in | 10.4381 | APE11-dist-in | 11.9081 | APE10-dist-in | 6.6649 | APE9-dist-in | 4.244 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | D | 305.0 | 289.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8sce | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 8SCEE | Q9NWZ3 | 162 | 459 | 460.0 | ZVD:503 | Type1 | Active | DFGin | 6.8879 | 13.9235 | BLAminus | -126.97, -179.73 | 60.71, 81.73 | -102.64, 14.04 | 307.26, 101.4 | -57.91, -39.49 | in-in | in | 8.6754 | Saltbr-in | 3.5345 | HRD-in | -70.01, -51.05 | 77.24, -5.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7794 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.13, 152.08 | APE9-dihe-na | 138.21, -170.74 | APE8-dihe-in | -110.91, 109.01 | APE8-rot-in | 310.79 | APE67-dihe-in | -61.86, -16.65 | -47.33, -46.49 | APE12-dist-in | 10.5153 | APE11-dist-in | 11.9011 | APE10-dist-in | 6.6318 | APE9-dist-in | 4.2245 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | E | 305.0 | 285.0 | 13 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8sce | TKL_IRAK4_HUMAN | TKL | 4.3e-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 |
| 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 | 8SCEA | Q9NWZ3 | 164 | 459 | 460.0 | ZVD:501 | Type1 | Inactive | DFGin | 6.8097 | 14.0165 | BLAminus | -126.47, -178.7 | 59.91, 82.58 | -102.13, 13.59 | 306.65, 101.09 | -59.02, -31.96 | in-out | in | 8.9343 | Saltbr-out | 3.9405 | HRD-in | -69.45, -51.74 | 77.12, -3.19 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7833 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.78, 152.45 | APE9-dihe-na | 139.2, -169.88 | APE8-dihe-in | -111.37, 109.73 | APE8-rot-in | 310.53 | APE67-dihe-in | -61.52, -17.0 | -52.93, -40.4 | APE12-dist-in | 10.3682 | APE11-dist-in | 11.7487 | APE10-dist-in | 6.5372 | APE9-dist-in | 4.2328 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | A | 305.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8sce | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 8SCEB | Q9NWZ3 | 164 | 458 | 460.0 | ZVD:501 | Type1 | Active | DFGin | 6.8725 | 13.8448 | BLAminus | -128.59, -178.77 | 60.92, 81.27 | -102.45, 15.1 | 307.63, 100.59 | -60.68, -32.26 | in-in | in | 8.6415 | Saltbr-in | 3.2068 | HRD-in | -69.44, -52.46 | 77.81, -3.32 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7901 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.77, 152.58 | APE9-dihe-na | 139.09, -170.98 | APE8-dihe-in | -109.95, 109.6 | APE8-rot-in | 309.72 | APE67-dihe-in | -61.76, -17.48 | -53.14, -40.37 | APE12-dist-in | 10.5158 | APE11-dist-in | 11.7603 | APE10-dist-in | 6.561 | APE9-dist-in | 4.2252 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | B | 305.0 | 287.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 8sce | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 8SCED | Q9NWZ3 | 161 | 459 | 460.0 | ZVD:502 | Type1 | Active | DFGin | 6.7762 | 13.9041 | BLAminus | -121.43, -179.64 | 62.94, 81.94 | -102.76, 13.61 | 305.86, 101.34 | -60.3, -31.77 | in-in | in | 8.6314 | Saltbr-in | 3.283 | HRD-in | -70.01, -51.91 | 77.74, -5.02 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7748 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.26, 152.99 | APE9-dihe-na | 137.91, -170.79 | APE8-dihe-in | -110.55, 110.46 | APE8-rot-in | 310.04 | APE67-dihe-in | -60.43, -17.98 | -47.93, -46.75 | APE12-dist-in | 10.4381 | APE11-dist-in | 11.9081 | APE10-dist-in | 6.6649 | APE9-dist-in | 4.244 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | D | 305.0 | 289.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8sce | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-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 | 8SCEE | Q9NWZ3 | 162 | 459 | 460.0 | ZVD:503 | Type1 | Active | DFGin | 6.8879 | 13.9235 | BLAminus | -126.97, -179.73 | 60.71, 81.73 | -102.64, 14.04 | 307.26, 101.4 | -57.91, -39.49 | in-in | in | 8.6754 | Saltbr-in | 3.5345 | HRD-in | -70.01, -51.05 | 77.24, -5.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7794 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.13, 152.08 | APE9-dihe-na | 138.21, -170.74 | APE8-dihe-in | -110.91, 109.01 | APE8-rot-in | 310.79 | APE67-dihe-in | -61.86, -16.65 | -47.33, -46.49 | APE12-dist-in | 10.5153 | APE11-dist-in | 11.9011 | APE10-dist-in | 6.6318 | APE9-dist-in | 4.2245 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.89 | 0.204 | 0.228 | E | 305.0 | 285.0 | 13 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 8sce | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-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 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|