Ligand: CJT

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6F3DB
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 6F3DA Q9NWZ3 164 458 460.0 CJT:502 Type1 Inactive DFGin 6.8568 14.9701 BLAminus -126.43, 173.85 60.13, 90.52 -108.92, 21.74 303.63, 100.05 -64.69, -33.45 in-out in 8.7483 Saltbr-out 7.0584 HRD-in -69.56, -52.85 80.84, -6.56 out-in-in SNCoii in-in ActLoopNT-in 2.7424 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.18, 157.03 APE9-dihe-na 132.14, -169.02 APE8-dihe-in -110.38, 114.0 APE8-rot-in 313.11 APE67-dihe-in -62.64, -17.73 -54.17, -36.33 APE12-dist-in 9.7838 APE11-dist-in 11.7103 APE10-dist-in 6.2087 APE9-dist-in 3.7231 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.199 0.227 A 295.0 279.0 16 30 23 7 [[183, 456]] 1.0 6f3d 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 6F3DB Q9NWZ3 164 458 460.0 CJT:502 Type1 Inactive DFGin 6.9062 14.8413 BLAminus -125.62, 174.19 59.72, 91.48 -109.06, 21.2 303.98, 99.18 -64.05, -33.92 in-out in 8.7272 Saltbr-out 6.88 HRD-in -68.72, -52.8 80.28, -5.29 out-in-in SNCoii in-in ActLoopNT-in 2.7186 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.53, 156.8 APE9-dihe-na 131.54, -170.51 APE8-dihe-in -110.25, 113.69 APE8-rot-in 313.84 APE67-dihe-in -63.36, -18.29 -54.74, -34.7 APE12-dist-in 9.7719 APE11-dist-in 11.4492 APE10-dist-in 5.984 APE9-dist-in 3.7841 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.199 0.227 B 295.0 285.0 10 30 23 7 [[183, 456]] 1.0 6f3d 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: CJT

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6F3DB
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 6F3DA Q9NWZ3 164 458 460.0 CJT:502 Type1 Inactive DFGin 6.8568 14.9701 BLAminus -126.43, 173.85 60.13, 90.52 -108.92, 21.74 303.63, 100.05 -64.69, -33.45 in-out in 8.7483 Saltbr-out 7.0584 HRD-in -69.56, -52.85 80.84, -6.56 out-in-in SNCoii in-in ActLoopNT-in 2.7424 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.18, 157.03 APE9-dihe-na 132.14, -169.02 APE8-dihe-in -110.38, 114.0 APE8-rot-in 313.11 APE67-dihe-in -62.64, -17.73 -54.17, -36.33 APE12-dist-in 9.7838 APE11-dist-in 11.7103 APE10-dist-in 6.2087 APE9-dist-in 3.7231 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.199 0.227 A 295.0 279.0 16 30 23 7 [[183, 456]] 1.0 6f3d 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 6F3DB Q9NWZ3 164 458 460.0 CJT:502 Type1 Inactive DFGin 6.9062 14.8413 BLAminus -125.62, 174.19 59.72, 91.48 -109.06, 21.2 303.98, 99.18 -64.05, -33.92 in-out in 8.7272 Saltbr-out 6.88 HRD-in -68.72, -52.8 80.28, -5.29 out-in-in SNCoii in-in ActLoopNT-in 2.7186 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.53, 156.8 APE9-dihe-na 131.54, -170.51 APE8-dihe-in -110.25, 113.69 APE8-rot-in 313.84 APE67-dihe-in -63.36, -18.29 -54.74, -34.7 APE12-dist-in 9.7719 APE11-dist-in 11.4492 APE10-dist-in 5.984 APE9-dist-in 3.7841 None TPO345,SEP346 TPO345,SEP346 XRAY 2.38 0.199 0.227 B 295.0 285.0 10 30 23 7 [[183, 456]] 1.0 6f3d 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: CJT

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