Ligand: 6R1

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% 5K76B
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 5K76A Q9NWZ3 165 458 460.0 6R1:501 Type1 Inactive DFGin 6.8534 14.8634 BLAminus -121.43, -179.95 54.49, 86.78 -104.23, 22.41 304.48, 98.38 -65.05, -34.55 in-out in 8.9195 Saltbr-out 3.6512 HRD-in -65.07, -46.83 74.96, -9.88 out-in-in SNCoii in-in ActLoopNT-in 2.8021 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.56, 155.66 APE9-dihe-na 131.31, -170.57 APE8-dihe-in -106.81, 113.19 APE8-rot-in 313.21 APE67-dihe-in -69.62, -11.45 -41.08, -46.98 APE12-dist-in 10.3096 APE11-dist-in 11.7027 APE10-dist-in 6.1775 APE9-dist-in 3.6795 None TPO345,SEP346 TPO345,SEP346 XRAY 2.74 0.218 0.246 A 301.0 272.0 22 30 24 6 [[183, 456]] 1.0 5k76 TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 5K76B Q9NWZ3 164 458 460.0 6R1:501 Type1 Active DFGin 6.842 14.8465 BLAminus -120.86, 179.92 54.63, 86.6 -104.85, 21.84 304.89, 98.02 -65.03, -33.77 in-in in 8.8208 Saltbr-in 3.3542 HRD-in -64.93, -47.01 74.5, -8.88 in-in-in SNCiii in-in ActLoopNT-in 2.797 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.39, 155.1 APE9-dihe-na 131.16, -171.05 APE8-dihe-in -106.73, 112.96 APE8-rot-in 313.37 APE67-dihe-in -69.81, -11.83 -40.26, -47.81 APE12-dist-in 10.0469 APE11-dist-in 11.658 APE10-dist-in 6.1477 APE9-dist-in 3.681 None TPO345,SEP346 TPO345,SEP346 XRAY 2.74 0.218 0.246 B 301.0 283.0 12 30 23 7 [[183, 456]] 1.0 5k76 TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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: 6R1

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% 5K76B
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 5K76A Q9NWZ3 165 458 460.0 6R1:501 Type1 Inactive DFGin 6.8534 14.8634 BLAminus -121.43, -179.95 54.49, 86.78 -104.23, 22.41 304.48, 98.38 -65.05, -34.55 in-out in 8.9195 Saltbr-out 3.6512 HRD-in -65.07, -46.83 74.96, -9.88 out-in-in SNCoii in-in ActLoopNT-in 2.8021 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.56, 155.66 APE9-dihe-na 131.31, -170.57 APE8-dihe-in -106.81, 113.19 APE8-rot-in 313.21 APE67-dihe-in -69.62, -11.45 -41.08, -46.98 APE12-dist-in 10.3096 APE11-dist-in 11.7027 APE10-dist-in 6.1775 APE9-dist-in 3.6795 None TPO345,SEP346 TPO345,SEP346 XRAY 2.74 0.218 0.246 A 301.0 272.0 22 30 24 6 [[183, 456]] 1.0 5k76 Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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 5K76B Q9NWZ3 164 458 460.0 6R1:501 Type1 Active DFGin 6.842 14.8465 BLAminus -120.86, 179.92 54.63, 86.6 -104.85, 21.84 304.89, 98.02 -65.03, -33.77 in-in in 8.8208 Saltbr-in 3.3542 HRD-in -64.93, -47.01 74.5, -8.88 in-in-in SNCiii in-in ActLoopNT-in 2.797 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.39, 155.1 APE9-dihe-na 131.16, -171.05 APE8-dihe-in -106.73, 112.96 APE8-rot-in 313.37 APE67-dihe-in -69.81, -11.83 -40.26, -47.81 APE12-dist-in 10.0469 APE11-dist-in 11.658 APE10-dist-in 6.1477 APE9-dist-in 3.681 None TPO345,SEP346 TPO345,SEP346 XRAY 2.74 0.218 0.246 B 301.0 283.0 12 30 23 7 [[183, 456]] 1.0 5k76 Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 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: 6R1

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