Ligand: PQC

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 2 100.0% 3QGWA
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
TYR ITK ITK_HUMAN 3QGWA Q08881 358 618 620.0 PQC:1 Type1 Inactive DFGin 4.9728 13.0876 BLAplus -131.51, -179.94 53.74, 33.71 -89.79, -22.03 54.92, 80.2 -84.37, 999.0 out-out out 11.5976 Saltbr-out 6.3948 HRD-in -92.02, -0.19 23.56, -1.23 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 169.21 APE8-dihe-in -72.23, 65.56 APE8-rot-na 339.97 APE67-dihe-in -68.71, -19.0 -63.58, -17.46 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.0205 None None None XRAY 2.1 0.245 0.32 A 286.0 244.0 17 29 12 17 [[363, 614]] 1.0 3qgw TYR_ITK_HUMAN TYR 1.3e-92 315.7 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK
TYR ITK ITK_HUMAN 3QGYA Q08881 357 618 620.0 PQC:60001 Type1 Inactive DFGin 4.7023 13.3978 BLAplus -130.17, 173.6 58.05, 28.5 -83.19, -21.92 53.94, 76.12 -98.05, 999.0 out-out out 10.7365 Saltbr-out 7.447 HRD-in -73.36, -56.75 77.34, -6.04 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 61.92 APE8-rot-na 332.56 APE67-dihe-in -71.07, -15.83 -62.67, -17.28 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.1 0.208 0.247 A 286.0 244.0 18 29 11 18 [[363, 614]] 1.0 3qgy TYR_ITK_HUMAN TYR 1.3e-92 315.7 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK

Ligand: PQC

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 2 100.0% 3QGWA
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
TYR ITK ITK_HUMAN 3QGWA Q08881 358 618 620.0 PQC:1 Type1 Inactive DFGin 4.9728 13.0876 BLAplus -131.51, -179.94 53.74, 33.71 -89.79, -22.03 54.92, 80.2 -84.37, 999.0 out-out out 11.5976 Saltbr-out 6.3948 HRD-in -92.02, -0.19 23.56, -1.23 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 169.21 APE8-dihe-in -72.23, 65.56 APE8-rot-na 339.97 APE67-dihe-in -68.71, -19.0 -63.58, -17.46 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.0205 None None None XRAY 2.1 0.245 0.32 A 286.0 244.0 17 29 12 17 [[363, 614]] 1.0 3qgw Homo sapiens TYR_ITK_HUMAN TYR 1.3e-92 315.7 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK
TYR ITK ITK_HUMAN 3QGYA Q08881 357 618 620.0 PQC:60001 Type1 Inactive DFGin 4.7023 13.3978 BLAplus -130.17, 173.6 58.05, 28.5 -83.19, -21.92 53.94, 76.12 -98.05, 999.0 out-out out 10.7365 Saltbr-out 7.447 HRD-in -73.36, -56.75 77.34, -6.04 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 61.92 APE8-rot-na 332.56 APE67-dihe-in -71.07, -15.83 -62.67, -17.28 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.1 0.208 0.247 A 286.0 244.0 18 29 11 18 [[363, 614]] 1.0 3qgy Homo sapiens TYR_ITK_HUMAN TYR 1.3e-92 315.7 1.0 260.0 260.0 499 500 501 503 505 391 406 410 479 481 480 482.0 540 528 523 522 521 520 519 518 517 436 Tyrosine-protein kinase ITK/TSK

Ligand: PQC

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