Ligand: N9Z

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% 6THXB
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 6THXA Q9NWZ3 164 458 460.0 N9Z:501 Type1 Active DFGin 6.5269 14.5293 BLAminus -127.56, 172.71 65.6, 83.21 -103.86, 30.76 312.6, 124.02 -71.9, -39.12 in-in in 8.4488 Saltbr-in 3.1272 HRD-in -68.51, -52.67 79.87, -7.09 in-in-in SNCiii in-in ActLoopNT-in 2.7729 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.98, 146.03 APE9-dihe-na 147.06, -173.06 APE8-dihe-in -104.96, 109.73 APE8-rot-in 309.29 APE67-dihe-in -62.88, -17.94 -53.78, -36.75 APE12-dist-in 10.1457 APE11-dist-in 11.8181 APE10-dist-in 6.4566 APE9-dist-in 4.0718 None TPO345,SEP346 TPO345,SEP346 XRAY 1.99 0.232 0.254 A 308.0 279.0 16 30 24 6 [[183, 456]] 1.0 6thx 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 6THXB Q9NWZ3 164 458 460.0 N9Z:501 Type1 Inactive DFGin 6.7832 14.5032 BLAminus -130.3, 173.53 69.43, 82.81 -102.19, 17.11 308.42, 101.98 -60.44, -37.77 in-out in 9.0557 Saltbr-out 6.7422 HRD-in -69.56, -52.62 80.33, -6.88 out-in-in SNCoii in-in ActLoopNT-in 2.7756 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.94, 145.34 APE9-dihe-na 147.73, -171.87 APE8-dihe-in -106.02, 110.0 APE8-rot-in 309.88 APE67-dihe-in -61.74, -18.4 -54.4, -36.6 APE12-dist-in 10.54 APE11-dist-in 11.7168 APE10-dist-in 6.4037 APE9-dist-in 4.1021 None TPO345,SEP346 TPO345,SEP346 XRAY 1.99 0.232 0.254 B 308.0 283.0 12 30 25 5 [[183, 456]] 1.0 6thx 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: N9Z

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% 6THXB
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 6THXA Q9NWZ3 164 458 460.0 N9Z:501 Type1 Active DFGin 6.5269 14.5293 BLAminus -127.56, 172.71 65.6, 83.21 -103.86, 30.76 312.6, 124.02 -71.9, -39.12 in-in in 8.4488 Saltbr-in 3.1272 HRD-in -68.51, -52.67 79.87, -7.09 in-in-in SNCiii in-in ActLoopNT-in 2.7729 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.98, 146.03 APE9-dihe-na 147.06, -173.06 APE8-dihe-in -104.96, 109.73 APE8-rot-in 309.29 APE67-dihe-in -62.88, -17.94 -53.78, -36.75 APE12-dist-in 10.1457 APE11-dist-in 11.8181 APE10-dist-in 6.4566 APE9-dist-in 4.0718 None TPO345,SEP346 TPO345,SEP346 XRAY 1.99 0.232 0.254 A 308.0 279.0 16 30 24 6 [[183, 456]] 1.0 6thx 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 6THXB Q9NWZ3 164 458 460.0 N9Z:501 Type1 Inactive DFGin 6.7832 14.5032 BLAminus -130.3, 173.53 69.43, 82.81 -102.19, 17.11 308.42, 101.98 -60.44, -37.77 in-out in 9.0557 Saltbr-out 6.7422 HRD-in -69.56, -52.62 80.33, -6.88 out-in-in SNCoii in-in ActLoopNT-in 2.7756 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.94, 145.34 APE9-dihe-na 147.73, -171.87 APE8-dihe-in -106.02, 110.0 APE8-rot-in 309.88 APE67-dihe-in -61.74, -18.4 -54.4, -36.6 APE12-dist-in 10.54 APE11-dist-in 11.7168 APE10-dist-in 6.4037 APE9-dist-in 4.1021 None TPO345,SEP346 TPO345,SEP346 XRAY 1.99 0.232 0.254 B 308.0 283.0 12 30 25 5 [[183, 456]] 1.0 6thx 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: N9Z

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