Ligand: CJN

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% 6F3GB
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 6F3GA Q9NWZ3 164 458 460.0 CJN:501 Type1 Active DFGin 6.9344 14.6905 BLAminus -122.32, 172.07 57.35, 82.28 -97.19, 19.83 304.44, 114.9 -63.17, -27.04 in-in in 9.3591 Saltbr-in 3.2345 HRD-in -67.41, -50.37 77.63, -5.5 in-in-in SNCiii in-in ActLoopNT-in 2.8163 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.97, 162.51 APE9-dihe-na 125.59, -169.48 APE8-dihe-in -113.67, 112.77 APE8-rot-in 308.62 APE67-dihe-in -62.16, -14.53 -45.05, -47.73 APE12-dist-in 10.3673 APE11-dist-in 11.9291 APE10-dist-in 6.368 APE9-dist-in 3.7361 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.37 0.291 0.314 A 295.0 277.0 18 30 24 6 [[183, 456]] 1.0 6f3g TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 6F3GB Q9NWZ3 164 458 460.0 CJN:502 Type1 Active DFGin 6.7463 14.91 BLAminus -124.8, 172.93 59.11, 81.24 -96.73, 18.74 302.18, 100.23 -62.68, -27.88 in-in in 9.5668 Saltbr-in 3.2461 HRD-in -66.44, -50.77 77.64, -6.42 in-in-in SNCiii in-in ActLoopNT-in 2.8172 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.34, 162.98 APE9-dihe-na 126.47, -168.92 APE8-dihe-in -114.13, 114.0 APE8-rot-in 308.7 APE67-dihe-in -62.55, -14.66 -47.56, -45.83 APE12-dist-in 10.3152 APE11-dist-in 11.7999 APE10-dist-in 6.2953 APE9-dist-in 3.7574 None TPO345,SEP346 TPO345,SEP346 XRAY 2.37 0.291 0.314 B 295.0 279.0 16 30 24 6 [[183, 456]] 1.0 6f3g TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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: CJN

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% 6F3GB
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 6F3GA Q9NWZ3 164 458 460.0 CJN:501 Type1 Active DFGin 6.9344 14.6905 BLAminus -122.32, 172.07 57.35, 82.28 -97.19, 19.83 304.44, 114.9 -63.17, -27.04 in-in in 9.3591 Saltbr-in 3.2345 HRD-in -67.41, -50.37 77.63, -5.5 in-in-in SNCiii in-in ActLoopNT-in 2.8163 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.97, 162.51 APE9-dihe-na 125.59, -169.48 APE8-dihe-in -113.67, 112.77 APE8-rot-in 308.62 APE67-dihe-in -62.16, -14.53 -45.05, -47.73 APE12-dist-in 10.3673 APE11-dist-in 11.9291 APE10-dist-in 6.368 APE9-dist-in 3.7361 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.37 0.291 0.314 A 295.0 277.0 18 30 24 6 [[183, 456]] 1.0 6f3g Homo sapiens TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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 6F3GB Q9NWZ3 164 458 460.0 CJN:502 Type1 Active DFGin 6.7463 14.91 BLAminus -124.8, 172.93 59.11, 81.24 -96.73, 18.74 302.18, 100.23 -62.68, -27.88 in-in in 9.5668 Saltbr-in 3.2461 HRD-in -66.44, -50.77 77.64, -6.42 in-in-in SNCiii in-in ActLoopNT-in 2.8172 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.34, 162.98 APE9-dihe-na 126.47, -168.92 APE8-dihe-in -114.13, 114.0 APE8-rot-in 308.7 APE67-dihe-in -62.55, -14.66 -47.56, -45.83 APE12-dist-in 10.3152 APE11-dist-in 11.7999 APE10-dist-in 6.2953 APE9-dist-in 3.7574 None TPO345,SEP346 TPO345,SEP346 XRAY 2.37 0.291 0.314 B 295.0 279.0 16 30 24 6 [[183, 456]] 1.0 6f3g Homo sapiens TKL_IRAK4_HUMAN TKL 3.8e-84 288.3 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: CJN

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