Ligand: B4U

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7QG3B
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 7QG3A Q9NWZ3 164 458 460.0 B4U:501 Type1 Active DFGin 6.9181 15.1287 BLAminus -118.63, 175.18 58.47, 100.85 -117.38, 18.69 296.79, 96.31 -62.72, -22.67 in-in in 8.5187 Saltbr-in 2.81 HRD-in -67.79, -50.6 77.88, -8.47 in-in-in SNCiii in-in ActLoopNT-in 2.7837 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.78, 143.14 APE9-dihe-na 150.68, -166.83 APE8-dihe-in -109.63, 113.48 APE8-rot-in 315.93 APE67-dihe-in -63.55, -19.13 -55.1, -38.42 APE12-dist-in 10.8649 APE11-dist-in 11.7855 APE10-dist-in 6.7056 APE9-dist-in 4.2432 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.11 0.273 0.304 A 308.0 278.0 17 30 24 6 [[183, 456]] 1.0 7qg3 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 7QG3B Q9NWZ3 164 458 460.0 B4U:501 Type1 Inactive DFGin 6.8462 14.6838 BLAminus -132.44, 171.27 64.36, 88.43 -111.84, 26.31 313.62, 91.35 -71.36, -21.35 in-out in 8.677 Saltbr-out 5.0214 HRD-in -67.36, -50.82 78.83, -8.31 out-in-in SNCoii in-in ActLoopNT-in 2.7775 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.2, 142.27 APE9-dihe-na 152.04, -166.56 APE8-dihe-in -110.23, 113.93 APE8-rot-in 316.42 APE67-dihe-in -63.34, -18.6 -57.19, -37.15 APE12-dist-in 10.7684 APE11-dist-in 11.7378 APE10-dist-in 6.6852 APE9-dist-in 4.2629 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.11 0.273 0.304 B 308.0 283.0 12 30 24 6 [[183, 456]] 1.0 7qg3 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: B4U

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7QG3B
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 7QG3A Q9NWZ3 164 458 460.0 B4U:501 Type1 Active DFGin 6.9181 15.1287 BLAminus -118.63, 175.18 58.47, 100.85 -117.38, 18.69 296.79, 96.31 -62.72, -22.67 in-in in 8.5187 Saltbr-in 2.81 HRD-in -67.79, -50.6 77.88, -8.47 in-in-in SNCiii in-in ActLoopNT-in 2.7837 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.78, 143.14 APE9-dihe-na 150.68, -166.83 APE8-dihe-in -109.63, 113.48 APE8-rot-in 315.93 APE67-dihe-in -63.55, -19.13 -55.1, -38.42 APE12-dist-in 10.8649 APE11-dist-in 11.7855 APE10-dist-in 6.7056 APE9-dist-in 4.2432 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.11 0.273 0.304 A 308.0 278.0 17 30 24 6 [[183, 456]] 1.0 7qg3 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 7QG3B Q9NWZ3 164 458 460.0 B4U:501 Type1 Inactive DFGin 6.8462 14.6838 BLAminus -132.44, 171.27 64.36, 88.43 -111.84, 26.31 313.62, 91.35 -71.36, -21.35 in-out in 8.677 Saltbr-out 5.0214 HRD-in -67.36, -50.82 78.83, -8.31 out-in-in SNCoii in-in ActLoopNT-in 2.7775 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.2, 142.27 APE9-dihe-na 152.04, -166.56 APE8-dihe-in -110.23, 113.93 APE8-rot-in 316.42 APE67-dihe-in -63.34, -18.6 -57.19, -37.15 APE12-dist-in 10.7684 APE11-dist-in 11.7378 APE10-dist-in 6.6852 APE9-dist-in 4.2629 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.11 0.273 0.304 B 308.0 283.0 12 30 24 6 [[183, 456]] 1.0 7qg3 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: B4U

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