Ligand: 29Z

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 4MF0A
DFGin None 1 50.0% 4MF0B
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 4MF0A Q08881 357 619 620.0 29Z:701 Type1 Inactive DFGin 7.1006 14.4248 BLAplus -143.98, 170.19 56.85, 56.33 -101.39, -51.6 26.45, 98.65 -110.48, 47.98 out-out out 13.7182 Saltbr-out 14.166 HRD-in -56.64, -44.55 74.19, -20.92 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, -32.27 APE8-rot-na 25.9 APE67-dihe-in -64.12, -28.5 -67.87, -25.3 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.215 0.268 A 266.0 240.0 23 29 13 16 [[363, 614]] 1.0 4mf0 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 4MF0B Q08881 357 619 620.0 29Z:701 Type1 Inactive DFGin 6.8221 14.6295 None -147.79, -179.99 59.06, 76.1 -152.71, 999.0 51.7, 89.28 999.0, 999.0 out-out out 13.6042 Saltbr-out 14.5985 HRD-in -57.08, -45.93 79.95, -24.32 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, -2.72 APE8-rot-na 30.57 APE67-dihe-in -60.16, -25.12 -59.46, -35.23 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.215 0.268 B 266.0 237.0 26 29 10 19 [[363, 614]] 1.0 4mf0 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: 29Z

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 4MF0A
DFGin None 1 50.0% 4MF0B
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 4MF0A Q08881 357 619 620.0 29Z:701 Type1 Inactive DFGin 7.1006 14.4248 BLAplus -143.98, 170.19 56.85, 56.33 -101.39, -51.6 26.45, 98.65 -110.48, 47.98 out-out out 13.7182 Saltbr-out 14.166 HRD-in -56.64, -44.55 74.19, -20.92 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, -32.27 APE8-rot-na 25.9 APE67-dihe-in -64.12, -28.5 -67.87, -25.3 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.215 0.268 A 266.0 240.0 23 29 13 16 [[363, 614]] 1.0 4mf0 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 4MF0B Q08881 357 619 620.0 29Z:701 Type1 Inactive DFGin 6.8221 14.6295 None -147.79, -179.99 59.06, 76.1 -152.71, 999.0 51.7, 89.28 999.0, 999.0 out-out out 13.6042 Saltbr-out 14.5985 HRD-in -57.08, -45.93 79.95, -24.32 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, -2.72 APE8-rot-na 30.57 APE67-dihe-in -60.16, -25.12 -59.46, -35.23 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Y512E None None XRAY 2.67 0.215 0.268 B 266.0 237.0 26 29 10 19 [[363, 614]] 1.0 4mf0 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: 29Z

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