Ligand: G5K

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 3 100.0% 4KIOC
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 4KIOA Q08881 357 619 620.0 G5K:60701 Type1 Inactive DFGin 4.3753 14.7019 BLAplus -118.58, 173.69 46.99, 49.02 -104.86, 13.72 51.45, 89.71 -108.9, 22.66 out-out out 10.2411 Saltbr-out 6.477 HRD-in -69.61, -55.38 85.37, -11.53 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, 96.8 APE8-rot-na 340.24 APE67-dihe-in -69.13, -18.83 -56.58, -22.2 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.18 0.167 0.202 A 266.0 238.0 25 29 13 16 [[363, 614]] 1.0 4kio TYR_ITK_HUMAN TYR 2.1e-92 315.0 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 4KIOB Q08881 357 619 620.0 G5K:60701 Type1 Inactive DFGin 4.2952 14.7129 BLAplus -122.69, 175.7 46.04, 47.6 -101.28, 10.89 51.75, 87.37 -102.32, 15.74 out-out out 10.2531 Saltbr-out 5.7795 HRD-in -67.94, -55.39 83.83, -14.35 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, 57.92 APE8-rot-na 30.1 APE67-dihe-in -63.89, -21.23 -61.05, -22.92 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.18 0.167 0.202 B 266.0 237.0 26 29 13 16 [[363, 614]] 1.0 4kio TYR_ITK_HUMAN TYR 2.1e-92 315.0 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 4KIOC Q08881 357 620 620.0 G6K:60701,G5K:60702 Type1,Type1 Inactive DFGin 4.3958 14.6888 BLAplus -123.89, 178.68 54.44, 40.53 -101.16, 11.51 53.39, 88.01 -105.65, 3.86 out-out out 10.054 Saltbr-out 5.6585 HRD-in -74.91, -55.25 81.74, -10.36 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 89.85 APE8-dihe-out -60.01, -29.11 APE8-rot-na 27.38 APE67-dihe-in -70.11, -21.52 -53.02, -24.29 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.2438 Y512E None None XRAY 2.18 0.167 0.202 C 266.0 249.0 15 29 14 15 [[363, 614]] 1.0 4kio TYR_ITK_HUMAN TYR 2.1e-92 315.0 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: G5K

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 3 100.0% 4KIOC
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 4KIOA Q08881 357 619 620.0 G5K:60701 Type1 Inactive DFGin 4.3753 14.7019 BLAplus -118.58, 173.69 46.99, 49.02 -104.86, 13.72 51.45, 89.71 -108.9, 22.66 out-out out 10.2411 Saltbr-out 6.477 HRD-in -69.61, -55.38 85.37, -11.53 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, 96.8 APE8-rot-na 340.24 APE67-dihe-in -69.13, -18.83 -56.58, -22.2 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.18 0.167 0.202 A 266.0 238.0 25 29 13 16 [[363, 614]] 1.0 4kio Homo sapiens TYR_ITK_HUMAN TYR 2.1e-92 315.0 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 4KIOB Q08881 357 619 620.0 G5K:60701 Type1 Inactive DFGin 4.2952 14.7129 BLAplus -122.69, 175.7 46.04, 47.6 -101.28, 10.89 51.75, 87.37 -102.32, 15.74 out-out out 10.2531 Saltbr-out 5.7795 HRD-in -67.94, -55.39 83.83, -14.35 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, 57.92 APE8-rot-na 30.1 APE67-dihe-in -63.89, -21.23 -61.05, -22.92 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.18 0.167 0.202 B 266.0 237.0 26 29 13 16 [[363, 614]] 1.0 4kio Homo sapiens TYR_ITK_HUMAN TYR 2.1e-92 315.0 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 4KIOC Q08881 357 620 620.0 G6K:60701,G5K:60702 Type1,Type1 Inactive DFGin 4.3958 14.6888 BLAplus -123.89, 178.68 54.44, 40.53 -101.16, 11.51 53.39, 88.01 -105.65, 3.86 out-out out 10.054 Saltbr-out 5.6585 HRD-in -74.91, -55.25 81.74, -10.36 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 89.85 APE8-dihe-out -60.01, -29.11 APE8-rot-na 27.38 APE67-dihe-in -70.11, -21.52 -53.02, -24.29 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.2438 Y512E None None XRAY 2.18 0.167 0.202 C 266.0 249.0 15 29 14 15 [[363, 614]] 1.0 4kio Homo sapiens TYR_ITK_HUMAN TYR 2.1e-92 315.0 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: G5K

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