Ligand: A1CKP

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 9PSSA
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 9PSSA Q9NWZ3 164 458 460.0 A1CKP:501 Type1 Active DFGin 6.623 13.841 BLAminus DFGAsp-rot-in -135.1858, 178.9025 62.5265, 84.6129 214.6679, -10.491 -103.0384, 17.0861 307.8461, 93.8255 -60.7777, -29.6808 in-in in 8.732 Saltbr-in 3.068 HRD-in -73.3943, -49.8952 77.8948, -0.4555 in-in-in SNCiii in-in ActLoopNT-in 2.646 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.6537, 146.2357 APE9-dihe-na 149.2221, -172.8912 APE8-dihe-in -114.9133, 113.8625 APE8-rot-in 297.0522 APE67-dihe-in -61.9723, -10.7537 -53.075, -46.0784 APE12-dist-in 10.136 APE11-dist-in 11.845 APE10-dist-in 6.403 APE9-dist-in 4.022 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.93 0.248 0.283 A 304 284 11 0 0 5 [[183, 456]] 1.0 9pss 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 9PSSB Q9NWZ3 164 458 460.0 A1CKP:501 Type1 Active DFGin 6.965 13.701 BLAminus DFGAsp-rot-in -130.8931, 177.9222 63.5917, 78.6654 201.2219, -5.9295 -99.2471, 16.4796 306.6243, 97.8219 -64.796, -19.9452 in-in in 8.87 Saltbr-in 2.845 HRD-in -81.1056, -51.0845 78.1784, 9.5227 in-in-in SNCiii in-in ActLoopNT-in 2.805 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.4564, 149.2911 APE9-dihe-na 144.5152, -164.476 APE8-dihe-in -118.1867, 114.0379 APE8-rot-in 303.9212 APE67-dihe-in -72.0979, -5.6544 -61.6425, -35.9259 APE12-dist-in 9.917 APE11-dist-in 11.838 APE10-dist-in 6.375 APE9-dist-in 4.191 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.93 0.248 0.283 B 304 284 11 0 0 5 [[183, 456]] 1.0 9pss 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: A1CKP

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 9PSSA
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 9PSSA Q9NWZ3 164 458 460.0 A1CKP:501 Type1 Active DFGin 6.623 13.841 BLAminus DFGAsp-rot-in -135.1858, 178.9025 62.5265, 84.6129 214.6679, -10.491 -103.0384, 17.0861 307.8461, 93.8255 -60.7777, -29.6808 in-in in 8.732 Saltbr-in 3.068 HRD-in -73.3943, -49.8952 77.8948, -0.4555 in-in-in SNCiii in-in ActLoopNT-in 2.646 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.6537, 146.2357 APE9-dihe-na 149.2221, -172.8912 APE8-dihe-in -114.9133, 113.8625 APE8-rot-in 297.0522 APE67-dihe-in -61.9723, -10.7537 -53.075, -46.0784 APE12-dist-in 10.136 APE11-dist-in 11.845 APE10-dist-in 6.403 APE9-dist-in 4.022 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.93 0.248 0.283 A 304 284 11 0 0 5 [[183, 456]] 1.0 9pss 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 9PSSB Q9NWZ3 164 458 460.0 A1CKP:501 Type1 Active DFGin 6.965 13.701 BLAminus DFGAsp-rot-in -130.8931, 177.9222 63.5917, 78.6654 201.2219, -5.9295 -99.2471, 16.4796 306.6243, 97.8219 -64.796, -19.9452 in-in in 8.87 Saltbr-in 2.845 HRD-in -81.1056, -51.0845 78.1784, 9.5227 in-in-in SNCiii in-in ActLoopNT-in 2.805 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.4564, 149.2911 APE9-dihe-na 144.5152, -164.476 APE8-dihe-in -118.1867, 114.0379 APE8-rot-in 303.9212 APE67-dihe-in -72.0979, -5.6544 -61.6425, -35.9259 APE12-dist-in 9.917 APE11-dist-in 11.838 APE10-dist-in 6.375 APE9-dist-in 4.191 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.93 0.248 0.283 B 304 284 11 0 0 5 [[183, 456]] 1.0 9pss 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: A1CKP

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