Ligand: 9YY

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% 5W84A
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 5W84A Q9NWZ3 165 459 460.0 9YY:4000 Type1 Active DFGin 7.2908 14.7392 BLAminus -116.66, -177.09 50.05, 80.29 -103.22, 13.06 304.5, 91.12 -69.66, -13.48 in-in in 8.6947 Saltbr-in 3.1553 HRD-in -58.29, -49.11 72.64, 6.83 in-in-in SNCiii in-in ActLoopNT-in 2.7779 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.65, 156.49 APE9-dihe-na 134.34, -164.03 APE8-dihe-in -112.68, 108.44 APE8-rot-in 309.9 APE67-dihe-inflip 85.12, -33.46 -56.68, 166.21 APE12-dist-in 10.3832 APE11-dist-in 11.9942 APE10-dist-in 6.7579 APE9-dist-in 3.6777 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.9 0.202 0.248 A 305.0 282.0 13 30 25 5 [[183, 456]] 1.0 5w84 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 5W84B Q9NWZ3 168 459 460.0 9YY:4000 Type1 None DFGin 6.9172 14.7775 BLAminus -117.28, -176.87 50.45, 80.34 -103.74, 13.5 304.16, 91.69 -70.56, -13.43 in-none in 8.5423 Saltbr-none 999.0 HRD-in -59.01, -48.84 73.66, 4.88 none-in-in SNCnii in-in ActLoopNT-in 2.7863 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.28, 157.08 APE9-dihe-na 134.47, -164.72 APE8-dihe-in -110.39, 105.06 APE8-rot-in 309.52 APE67-dihe-in -62.58, -18.58 -39.91, -49.41 APE12-dist-in 9.8472 APE11-dist-in 12.1046 APE10-dist-in 6.8178 APE9-dist-in 3.6538 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.9 0.202 0.248 B 305.0 264.0 28 30 25 5 [[183, 456]] 1.0 5w84 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

Ligand: 9YY

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% 5W84A
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 5W84A Q9NWZ3 165 459 460.0 9YY:4000 Type1 Active DFGin 7.2908 14.7392 BLAminus -116.66, -177.09 50.05, 80.29 -103.22, 13.06 304.5, 91.12 -69.66, -13.48 in-in in 8.6947 Saltbr-in 3.1553 HRD-in -58.29, -49.11 72.64, 6.83 in-in-in SNCiii in-in ActLoopNT-in 2.7779 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.65, 156.49 APE9-dihe-na 134.34, -164.03 APE8-dihe-in -112.68, 108.44 APE8-rot-in 309.9 APE67-dihe-inflip 85.12, -33.46 -56.68, 166.21 APE12-dist-in 10.3832 APE11-dist-in 11.9942 APE10-dist-in 6.7579 APE9-dist-in 3.6777 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.9 0.202 0.248 A 305.0 282.0 13 30 25 5 [[183, 456]] 1.0 5w84 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 5W84B Q9NWZ3 168 459 460.0 9YY:4000 Type1 None DFGin 6.9172 14.7775 BLAminus -117.28, -176.87 50.45, 80.34 -103.74, 13.5 304.16, 91.69 -70.56, -13.43 in-none in 8.5423 Saltbr-none 999.0 HRD-in -59.01, -48.84 73.66, 4.88 none-in-in SNCnii in-in ActLoopNT-in 2.7863 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.28, 157.08 APE9-dihe-na 134.47, -164.72 APE8-dihe-in -110.39, 105.06 APE8-rot-in 309.52 APE67-dihe-in -62.58, -18.58 -39.91, -49.41 APE12-dist-in 9.8472 APE11-dist-in 12.1046 APE10-dist-in 6.8178 APE9-dist-in 3.6538 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.9 0.202 0.248 B 305.0 264.0 28 30 25 5 [[183, 456]] 1.0 5w84 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

Ligand: 9YY

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