Ligand: NB5

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% 6THZB
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 6THZA Q9NWZ3 165 458 460.0 NB5:501 Type1 Active DFGin 7.0352 14.6174 BLAminus -132.59, 174.22 64.51, 87.68 -105.41, 12.97 302.18, 105.06 -60.16, -39.11 in-in in 8.7311 Saltbr-in 3.5149 HRD-in -71.52, -47.24 73.49, 0.54 in-in-in SNCiii in-in ActLoopNT-in 2.7941 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.0, 149.74 APE9-dihe-na 142.66, -166.48 APE8-dihe-in -108.46, 106.97 APE8-rot-in 312.32 APE67-dihe-in -65.37, -19.1 -35.78, -49.68 APE12-dist-in 10.562 APE11-dist-in 12.0194 APE10-dist-in 6.8127 APE9-dist-in 4.1097 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.233 0.274 A 308.0 267.0 27 30 24 6 [[183, 456]] 1.0 6thz 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 6THZB Q9NWZ3 164 458 460.0 NB5:501 Type1 Inactive DFGin 6.8838 14.4002 BLAminus -139.08, 176.87 64.46, 76.57 -96.2, 11.73 309.97, 94.63 -53.15, -40.13 in-out in 8.8775 Saltbr-out 7.0047 HRD-in -73.05, -47.74 74.11, -0.28 out-in-in SNCoii in-in ActLoopNT-in 2.79 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.96, 150.22 APE9-dihe-na 143.37, -165.81 APE8-dihe-in -109.46, 106.81 APE8-rot-in 312.76 APE67-dihe-in -65.57, -18.06 -35.96, -49.66 APE12-dist-in 10.5033 APE11-dist-in 11.8757 APE10-dist-in 6.7528 APE9-dist-in 4.1586 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.233 0.274 B 308.0 283.0 12 30 25 5 [[183, 456]] 1.0 6thz 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: NB5

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% 6THZB
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 6THZA Q9NWZ3 165 458 460.0 NB5:501 Type1 Active DFGin 7.0352 14.6174 BLAminus -132.59, 174.22 64.51, 87.68 -105.41, 12.97 302.18, 105.06 -60.16, -39.11 in-in in 8.7311 Saltbr-in 3.5149 HRD-in -71.52, -47.24 73.49, 0.54 in-in-in SNCiii in-in ActLoopNT-in 2.7941 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.0, 149.74 APE9-dihe-na 142.66, -166.48 APE8-dihe-in -108.46, 106.97 APE8-rot-in 312.32 APE67-dihe-in -65.37, -19.1 -35.78, -49.68 APE12-dist-in 10.562 APE11-dist-in 12.0194 APE10-dist-in 6.8127 APE9-dist-in 4.1097 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.233 0.274 A 308.0 267.0 27 30 24 6 [[183, 456]] 1.0 6thz 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 6THZB Q9NWZ3 164 458 460.0 NB5:501 Type1 Inactive DFGin 6.8838 14.4002 BLAminus -139.08, 176.87 64.46, 76.57 -96.2, 11.73 309.97, 94.63 -53.15, -40.13 in-out in 8.8775 Saltbr-out 7.0047 HRD-in -73.05, -47.74 74.11, -0.28 out-in-in SNCoii in-in ActLoopNT-in 2.79 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.96, 150.22 APE9-dihe-na 143.37, -165.81 APE8-dihe-in -109.46, 106.81 APE8-rot-in 312.76 APE67-dihe-in -65.57, -18.06 -35.96, -49.66 APE12-dist-in 10.5033 APE11-dist-in 11.8757 APE10-dist-in 6.7528 APE9-dist-in 4.1586 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.233 0.274 B 308.0 283.0 12 30 25 5 [[183, 456]] 1.0 6thz 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: NB5

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