Ligand: A1CKS

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9PSUB
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 9PSUA Q9NWZ3 164 458 460.0 A1CKS:501 Type1 Inactive DFGin 6.777 13.311 BLAminus DFGAsp-rot-in -135.7154, 175.1934 61.3111, 97.0749 222.8761, -8.8518 -120.5985, 24.0676 320.3686, 91.3576 -68.919, -35.5812 in-out in 8.819 Saltbr-out 5.088 HRD-in -78.7883, -52.6851 73.7792, 12.6395 out-in-out SNCoio in-out ActLoopNT-in 2.86 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -140.2097, 148.4397 APE9-dihe-na 135.5889, -168.9489 APE8-dihe-in -118.2682, 111.4233 APE8-rot-out 29.8355 APE67-dihe-in -65.8247, -22.5147 -52.7537, -34.3778 APE12-dist-in 9.856 APE11-dist-in 11.476 APE10-dist-in 6.006 APE9-dist-in 3.934 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 A 304 282 13 0 0 5 [[183, 456]] 1.0 9psu 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 9PSUB Q9NWZ3 164 458 460.0 A1CKS:501 Type1 Inactive DFGin 7.039 13.802 BLAminus DFGAsp-rot-in -132.2605, 177.3542 60.7467, 85.8159 224.7184, -20.0793 -111.2934, 21.0202 308.4273, 111.1211 -73.992, -34.1726 in-out in 8.541 Saltbr-out 3.967 HRD-in -73.9583, -51.5284 71.2531, 10.5177 out-in-in SNCoii in-in ActLoopNT-in 2.861 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.1932, 144.8444 APE9-dihe-na 140.6007, -168.6675 APE8-dihe-in -115.4824, 111.7325 APE8-rot-in 306.4531 APE67-dihe-in -64.5296, -16.2702 -48.3254, -43.346 APE12-dist-in 10.086 APE11-dist-in 11.967 APE10-dist-in 6.477 APE9-dist-in 4.09 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 B 304 286 9 0 0 4 [[183, 456]] 1.0 9psu 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 9PSUC Q9NWZ3 164 458 460.0 A1CKS:501 Type1 Inactive DFGin 7.011 13.598 BLAminus DFGAsp-rot-in -130.197, -174.7412 54.0555, 89.5943 224.4452, -18.5965 -111.7357, 17.4214 311.2804, 103.1271 -63.5641, -32.0917 in-out in 8.616 Saltbr-out 5.224 HRD-in -69.0853, -47.482 76.4075, -1.0089 out-in-in SNCoii in-in ActLoopNT-in 2.475 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.6646, 136.2468 APE9-dihe-na 154.42, -163.0761 APE8-dihe-in -120.0569, 110.0432 APE8-rot-in 301.5658 APE67-dihe-in -65.5695, -16.25 -49.77, -41.0716 APE12-dist-in 9.973 APE11-dist-in 12.076 APE10-dist-in 6.879 APE9-dist-in 4.465 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 C 304 281 14 0 0 5 [[183, 456]] 1.0 9psu 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 9PSUD Q9NWZ3 164 457 460.0 A1CKS:501 Type1 Inactive DFGin 6.897 13.422 BLAminus DFGAsp-rot-in -137.1161, 175.117 57.4083, 92.3526 228.9654, -10.619 -113.2808, 24.176 315.5128, 87.9164 -72.8056, -26.1541 in-out in 8.963 Saltbr-out 6.452 HRD-in -70.3534, -53.4163 79.9701, 3.8855 out-in-in SNCoii in-in ActLoopNT-in 2.479 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.8744, 154.4208 APE9-dihe-na 137.3188, 177.1883 APE8-dihe-in -100.9919, 117.2032 APE8-rot-in 303.2374 APE67-dihe-in -58.9153, -23.3417 -61.4003, -42.598 APE12-dist-in 10.53 APE11-dist-in 11.744 APE10-dist-in 6.751 APE9-dist-in 4.23 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 D 304 282 12 0 0 7 [[183, 456]] 1.0 9psu 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: A1CKS

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9PSUB
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 9PSUA Q9NWZ3 164 458 460.0 A1CKS:501 Type1 Inactive DFGin 6.777 13.311 BLAminus DFGAsp-rot-in -135.7154, 175.1934 61.3111, 97.0749 222.8761, -8.8518 -120.5985, 24.0676 320.3686, 91.3576 -68.919, -35.5812 in-out in 8.819 Saltbr-out 5.088 HRD-in -78.7883, -52.6851 73.7792, 12.6395 out-in-out SNCoio in-out ActLoopNT-in 2.86 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -140.2097, 148.4397 APE9-dihe-na 135.5889, -168.9489 APE8-dihe-in -118.2682, 111.4233 APE8-rot-out 29.8355 APE67-dihe-in -65.8247, -22.5147 -52.7537, -34.3778 APE12-dist-in 9.856 APE11-dist-in 11.476 APE10-dist-in 6.006 APE9-dist-in 3.934 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 A 304 282 13 0 0 5 [[183, 456]] 1.0 9psu 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 9PSUB Q9NWZ3 164 458 460.0 A1CKS:501 Type1 Inactive DFGin 7.039 13.802 BLAminus DFGAsp-rot-in -132.2605, 177.3542 60.7467, 85.8159 224.7184, -20.0793 -111.2934, 21.0202 308.4273, 111.1211 -73.992, -34.1726 in-out in 8.541 Saltbr-out 3.967 HRD-in -73.9583, -51.5284 71.2531, 10.5177 out-in-in SNCoii in-in ActLoopNT-in 2.861 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.1932, 144.8444 APE9-dihe-na 140.6007, -168.6675 APE8-dihe-in -115.4824, 111.7325 APE8-rot-in 306.4531 APE67-dihe-in -64.5296, -16.2702 -48.3254, -43.346 APE12-dist-in 10.086 APE11-dist-in 11.967 APE10-dist-in 6.477 APE9-dist-in 4.09 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 B 304 286 9 0 0 4 [[183, 456]] 1.0 9psu 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 9PSUC Q9NWZ3 164 458 460.0 A1CKS:501 Type1 Inactive DFGin 7.011 13.598 BLAminus DFGAsp-rot-in -130.197, -174.7412 54.0555, 89.5943 224.4452, -18.5965 -111.7357, 17.4214 311.2804, 103.1271 -63.5641, -32.0917 in-out in 8.616 Saltbr-out 5.224 HRD-in -69.0853, -47.482 76.4075, -1.0089 out-in-in SNCoii in-in ActLoopNT-in 2.475 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.6646, 136.2468 APE9-dihe-na 154.42, -163.0761 APE8-dihe-in -120.0569, 110.0432 APE8-rot-in 301.5658 APE67-dihe-in -65.5695, -16.25 -49.77, -41.0716 APE12-dist-in 9.973 APE11-dist-in 12.076 APE10-dist-in 6.879 APE9-dist-in 4.465 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 C 304 281 14 0 0 5 [[183, 456]] 1.0 9psu 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 9PSUD Q9NWZ3 164 457 460.0 A1CKS:501 Type1 Inactive DFGin 6.897 13.422 BLAminus DFGAsp-rot-in -137.1161, 175.117 57.4083, 92.3526 228.9654, -10.619 -113.2808, 24.176 315.5128, 87.9164 -72.8056, -26.1541 in-out in 8.963 Saltbr-out 6.452 HRD-in -70.3534, -53.4163 79.9701, 3.8855 out-in-in SNCoii in-in ActLoopNT-in 2.479 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.8744, 154.4208 APE9-dihe-na 137.3188, 177.1883 APE8-dihe-in -100.9919, 117.2032 APE8-rot-in 303.2374 APE67-dihe-in -58.9153, -23.3417 -61.4003, -42.598 APE12-dist-in 10.53 APE11-dist-in 11.744 APE10-dist-in 6.751 APE9-dist-in 4.23 None TPO345,SEP346 TPO345,SEP346 XRAY 2.43 0.248 0.295 D 304 282 12 0 0 7 [[183, 456]] 1.0 9psu 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: A1CKS

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