Ligand: A1AFO

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 8W3WA
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 8W3WA Q9NWZ3 162 460 460.0 A1AFO:501 Type1 Active DFGin 6.8581 14.0412 BLAminus -128.73, 174.74 62.23, 85.48 -101.5, 16.16 305.37, 100.31 -63.72, -27.31 in-in in 8.9043 Saltbr-in 3.2317 HRD-in -68.06, -48.89 74.72, -0.26 in-in-in SNCiii in-in ActLoopNT-in 2.8542 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.76, 159.98 APE9-dihe-na 131.71, -173.57 APE8-dihe-in -107.82, 112.48 APE8-rot-in 308.89 APE67-dihe-in -63.58, -17.69 -42.9, -48.96 APE12-dist-in 10.1032 APE11-dist-in 11.7358 APE10-dist-in 6.3675 APE9-dist-in 3.8724 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 A 323.0 299.0 0 30 30 0 [[183, 456]] 1.0 8w3w TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 8W3WB Q9NWZ3 162 459 460.0 A1AFO:501 Type1 Active DFGin 6.7872 14.0994 BLAminus -127.88, 176.03 61.89, 85.58 -101.74, 15.62 305.04, 100.67 -63.48, -27.05 in-in in 8.8783 Saltbr-in 3.3871 HRD-in -68.38, -48.99 75.54, -0.65 in-in-in SNCiii in-in ActLoopNT-in 2.8671 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.98, 161.44 APE9-dihe-na 131.52, -174.84 APE8-dihe-in -106.58, 111.93 APE8-rot-in 306.6 APE67-dihe-in -64.29, -18.3 -40.73, -48.94 APE12-dist-in 10.0498 APE11-dist-in 11.763 APE10-dist-in 6.369 APE9-dist-in 3.796 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 B 323.0 289.0 9 30 25 5 [[183, 456]] 1.0 8w3w TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 8W3WC Q9NWZ3 164 459 460.0 A1AFO:501 Type1 Active DFGin 6.9447 14.0277 BLAminus -131.5, 174.28 63.48, 84.98 -101.2, 15.78 305.71, 101.49 -64.51, -27.86 in-in in 9.1267 Saltbr-in 3.4906 HRD-in -68.01, -49.84 76.05, -0.43 in-in-in SNCiii in-in ActLoopNT-in 2.8494 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.49, 159.76 APE9-dihe-na 131.52, -174.5 APE8-dihe-in -107.14, 112.54 APE8-rot-in 309.3 APE67-dihe-in -64.01, -18.26 -41.84, -47.74 APE12-dist-in 10.0809 APE11-dist-in 11.8818 APE10-dist-in 6.4663 APE9-dist-in 3.8706 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 C 323.0 288.0 8 30 26 4 [[183, 456]] 1.0 8w3w TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 8W3WD Q9NWZ3 164 459 460.0 A1AFO:501 Type1 Active DFGin 6.892 13.9874 BLAminus -130.3, 174.83 63.6, 85.05 -101.8, 16.17 305.68, 100.86 -64.29, -27.61 in-in in 8.9427 Saltbr-in 3.3493 HRD-in -68.44, -48.97 76.22, -0.96 in-in-in SNCiii in-in ActLoopNT-in 2.8502 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.54, 160.0 APE9-dihe-na 132.11, -172.93 APE8-dihe-in -108.54, 112.3 APE8-rot-in 308.85 APE67-dihe-in -64.64, -17.79 -42.26, -47.29 APE12-dist-in 9.9975 APE11-dist-in 11.755 APE10-dist-in 6.4015 APE9-dist-in 3.9192 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 D 323.0 287.0 9 30 26 4 [[183, 456]] 1.0 8w3w TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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: A1AFO

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 8W3WA
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 8W3WA Q9NWZ3 162 460 460.0 A1AFO:501 Type1 Active DFGin 6.8581 14.0412 BLAminus -128.73, 174.74 62.23, 85.48 -101.5, 16.16 305.37, 100.31 -63.72, -27.31 in-in in 8.9043 Saltbr-in 3.2317 HRD-in -68.06, -48.89 74.72, -0.26 in-in-in SNCiii in-in ActLoopNT-in 2.8542 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.76, 159.98 APE9-dihe-na 131.71, -173.57 APE8-dihe-in -107.82, 112.48 APE8-rot-in 308.89 APE67-dihe-in -63.58, -17.69 -42.9, -48.96 APE12-dist-in 10.1032 APE11-dist-in 11.7358 APE10-dist-in 6.3675 APE9-dist-in 3.8724 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 A 323.0 299.0 0 30 30 0 [[183, 456]] 1.0 8w3w Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 8W3WB Q9NWZ3 162 459 460.0 A1AFO:501 Type1 Active DFGin 6.7872 14.0994 BLAminus -127.88, 176.03 61.89, 85.58 -101.74, 15.62 305.04, 100.67 -63.48, -27.05 in-in in 8.8783 Saltbr-in 3.3871 HRD-in -68.38, -48.99 75.54, -0.65 in-in-in SNCiii in-in ActLoopNT-in 2.8671 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.98, 161.44 APE9-dihe-na 131.52, -174.84 APE8-dihe-in -106.58, 111.93 APE8-rot-in 306.6 APE67-dihe-in -64.29, -18.3 -40.73, -48.94 APE12-dist-in 10.0498 APE11-dist-in 11.763 APE10-dist-in 6.369 APE9-dist-in 3.796 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 B 323.0 289.0 9 30 25 5 [[183, 456]] 1.0 8w3w Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 8W3WC Q9NWZ3 164 459 460.0 A1AFO:501 Type1 Active DFGin 6.9447 14.0277 BLAminus -131.5, 174.28 63.48, 84.98 -101.2, 15.78 305.71, 101.49 -64.51, -27.86 in-in in 9.1267 Saltbr-in 3.4906 HRD-in -68.01, -49.84 76.05, -0.43 in-in-in SNCiii in-in ActLoopNT-in 2.8494 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.49, 159.76 APE9-dihe-na 131.52, -174.5 APE8-dihe-in -107.14, 112.54 APE8-rot-in 309.3 APE67-dihe-in -64.01, -18.26 -41.84, -47.74 APE12-dist-in 10.0809 APE11-dist-in 11.8818 APE10-dist-in 6.4663 APE9-dist-in 3.8706 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 C 323.0 288.0 8 30 26 4 [[183, 456]] 1.0 8w3w Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 8W3WD Q9NWZ3 164 459 460.0 A1AFO:501 Type1 Active DFGin 6.892 13.9874 BLAminus -130.3, 174.83 63.6, 85.05 -101.8, 16.17 305.68, 100.86 -64.29, -27.61 in-in in 8.9427 Saltbr-in 3.3493 HRD-in -68.44, -48.97 76.22, -0.96 in-in-in SNCiii in-in ActLoopNT-in 2.8502 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.54, 160.0 APE9-dihe-na 132.11, -172.93 APE8-dihe-in -108.54, 112.3 APE8-rot-in 308.85 APE67-dihe-in -64.64, -17.79 -42.26, -47.29 APE12-dist-in 9.9975 APE11-dist-in 11.755 APE10-dist-in 6.4015 APE9-dist-in 3.9192 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.976 0.193 0.213 D 323.0 287.0 9 30 26 4 [[183, 456]] 1.0 8w3w Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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: A1AFO

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