Ligand: A1CKQ

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9PSTA
All chains
Pymol session (all) Pymol script (all)
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 DFG-Asp_rot_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Asp
χ1,χ2		 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 9PSTA Q9NWZ3 165 458 460.0 A1CKQ:501 Type1 Inactive DFGin 6.857 13.768 BLAminus DFGAsp-rot-in -138.0359, 171.5917 69.3869, 87.2165 209.2368, -24.4222 -108.5636, 16.7306 309.8676, 98.3732 -61.7394, -26.553 in-out in 8.863 Saltbr-out 3.787 HRD-in -74.4971, -50.1208 76.901, -0.4605 out-in-in SNCoii in-in ActLoopNT-in 2.831 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.948, 150.5444 APE9-dihe-na 145.5068, 178.8652 APE8-dihe-in -103.2439, 119.5628 APE8-rot-in 311.4898 APE67-dihe-in -58.6112, -16.1034 -56.05, -50.512 APE12-dist-in 10.137 APE11-dist-in 11.775 APE10-dist-in 6.412 APE9-dist-in 4.134 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 A 304 285 9 0 0 6 [[183, 456]] 1.0 9pst TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 9PSTB Q9NWZ3 164 458 460.0 A1CKQ:501 Type1 Inactive DFGin 6.798 13.683 BLAminus DFGAsp-rot-in -138.8155, 173.8615 68.1956, 85.3014 198.9303, 4.3794 -107.1576, 24.7947 312.4238, 95.7828 -64.3306, -25.9394 in-out in 8.683 Saltbr-out 5.224 HRD-in -74.102, -48.4642 75.4598, -2.3757 out-in-in SNCoii in-in ActLoopNT-in 2.636 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.7719, 147.8569 APE9-dihe-na 140.2127, -166.6404 APE8-dihe-in -114.1453, 109.5227 APE8-rot-in 307.0645 APE67-dihe-in -58.8673, -16.2359 -41.7769, -53.2358 APE12-dist-in 10.226 APE11-dist-in 12.112 APE10-dist-in 6.83 APE9-dist-in 4.312 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 B 304 282 13 0 0 5 [[183, 456]] 1.0 9pst TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 9PSTC Q9NWZ3 164 458 460.0 A1CKQ:501 Type1 Active DFGin 7.033 13.848 BLAminus DFGAsp-rot-in -134.8883, 169.8845 66.9153, 82.7344 208.9699, -22.0804 -103.7096, 21.2595 312.8154, 95.2814 -57.5417, -31.9158 in-in in 8.783 Saltbr-in 3.356 HRD-in -68.3641, -55.0064 81.6372, -1.016 in-in-in SNCiii in-in ActLoopNT-in 2.629 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.9944, 161.8071 APE9-dihe-na 130.2025, 178.888 APE8-dihe-in -100.823, 118.0674 APE8-rot-in 300.8392 APE67-dihe-in -63.2008, -19.3607 -63.186, -37.5926 APE12-dist-in 10.13 APE11-dist-in 11.803 APE10-dist-in 6.458 APE9-dist-in 4.038 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 C 304 284 11 0 0 6 [[183, 456]] 1.0 9pst TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 9PSTD Q9NWZ3 164 458 460.0 A1CKQ:501 Type1 Inactive DFGin 6.787 13.546 BLAminus DFGAsp-rot-in -133.7297, 171.7245 68.243, 78.0593 210.863, -18.5566 -102.208, 24.4954 315.8124, 99.3934 -76.3624, -24.173 in-out in 8.778 Saltbr-out 4.712 HRD-in -73.7549, -49.212 77.4163, 3.2895 out-in-in SNCoii in-in ActLoopNT-in 2.761 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.9864, 147.2619 APE9-dihe-na 137.5219, -173.0658 APE8-dihe-in -107.8843, 117.1744 APE8-rot-in 309.5126 APE67-dihe-in -65.8942, -13.6121 -52.0823, -46.4041 APE12-dist-in 10.35 APE11-dist-in 12.032 APE10-dist-in 6.402 APE9-dist-in 4.037 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 D 304 282 13 0 0 4 [[183, 456]] 1.0 9pst TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: A1CKQ

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9PSTA
All chains
Pymol session (all) Pymol script (all)
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 DFG-Asp_rot_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Asp
χ1,χ2		 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 9PSTA Q9NWZ3 165 458 460.0 A1CKQ:501 Type1 Inactive DFGin 6.857 13.768 BLAminus DFGAsp-rot-in -138.0359, 171.5917 69.3869, 87.2165 209.2368, -24.4222 -108.5636, 16.7306 309.8676, 98.3732 -61.7394, -26.553 in-out in 8.863 Saltbr-out 3.787 HRD-in -74.4971, -50.1208 76.901, -0.4605 out-in-in SNCoii in-in ActLoopNT-in 2.831 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.948, 150.5444 APE9-dihe-na 145.5068, 178.8652 APE8-dihe-in -103.2439, 119.5628 APE8-rot-in 311.4898 APE67-dihe-in -58.6112, -16.1034 -56.05, -50.512 APE12-dist-in 10.137 APE11-dist-in 11.775 APE10-dist-in 6.412 APE9-dist-in 4.134 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 A 304 285 9 0 0 6 [[183, 456]] 1.0 9pst Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 9PSTB Q9NWZ3 164 458 460.0 A1CKQ:501 Type1 Inactive DFGin 6.798 13.683 BLAminus DFGAsp-rot-in -138.8155, 173.8615 68.1956, 85.3014 198.9303, 4.3794 -107.1576, 24.7947 312.4238, 95.7828 -64.3306, -25.9394 in-out in 8.683 Saltbr-out 5.224 HRD-in -74.102, -48.4642 75.4598, -2.3757 out-in-in SNCoii in-in ActLoopNT-in 2.636 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.7719, 147.8569 APE9-dihe-na 140.2127, -166.6404 APE8-dihe-in -114.1453, 109.5227 APE8-rot-in 307.0645 APE67-dihe-in -58.8673, -16.2359 -41.7769, -53.2358 APE12-dist-in 10.226 APE11-dist-in 12.112 APE10-dist-in 6.83 APE9-dist-in 4.312 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 B 304 282 13 0 0 5 [[183, 456]] 1.0 9pst Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 9PSTC Q9NWZ3 164 458 460.0 A1CKQ:501 Type1 Active DFGin 7.033 13.848 BLAminus DFGAsp-rot-in -134.8883, 169.8845 66.9153, 82.7344 208.9699, -22.0804 -103.7096, 21.2595 312.8154, 95.2814 -57.5417, -31.9158 in-in in 8.783 Saltbr-in 3.356 HRD-in -68.3641, -55.0064 81.6372, -1.016 in-in-in SNCiii in-in ActLoopNT-in 2.629 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.9944, 161.8071 APE9-dihe-na 130.2025, 178.888 APE8-dihe-in -100.823, 118.0674 APE8-rot-in 300.8392 APE67-dihe-in -63.2008, -19.3607 -63.186, -37.5926 APE12-dist-in 10.13 APE11-dist-in 11.803 APE10-dist-in 6.458 APE9-dist-in 4.038 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 C 304 284 11 0 0 6 [[183, 456]] 1.0 9pst Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 9PSTD Q9NWZ3 164 458 460.0 A1CKQ:501 Type1 Inactive DFGin 6.787 13.546 BLAminus DFGAsp-rot-in -133.7297, 171.7245 68.243, 78.0593 210.863, -18.5566 -102.208, 24.4954 315.8124, 99.3934 -76.3624, -24.173 in-out in 8.778 Saltbr-out 4.712 HRD-in -73.7549, -49.212 77.4163, 3.2895 out-in-in SNCoii in-in ActLoopNT-in 2.761 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.9864, 147.2619 APE9-dihe-na 137.5219, -173.0658 APE8-dihe-in -107.8843, 117.1744 APE8-rot-in 309.5126 APE67-dihe-in -65.8942, -13.6121 -52.0823, -46.4041 APE12-dist-in 10.35 APE11-dist-in 12.032 APE10-dist-in 6.402 APE9-dist-in 4.037 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.12 0.213 0.269 D 304 282 13 0 0 4 [[183, 456]] 1.0 9pst Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.2 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: A1CKQ

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)
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 DFG-Asp_rot_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Asp
χ1,χ2		 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