Ligand: 29Y

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% 4MF1B
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 4MF1A Q08881 357 619 620.0 29Y:60701 Type1 Inactive DFGin 4.2916 14.4868 BLAplus -128.58, 173.62 47.23, 44.4 -102.38, 27.38 55.51, 83.16 -123.42, 25.0 in-out in 9.9354 Saltbr-out 4.2678 HRD-in -68.56, -53.29 81.24, -14.67 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, 79.97 APE8-rot-na 27.54 APE67-dihe-in -68.46, -18.99 -58.04, -26.43 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 C477S,E614A,E617A None None XRAY 2.113 0.177 0.229 A 266.0 241.0 22 29 12 17 [[363, 614]] 1.0 4mf1 TYR_ITK_HUMAN TYR 5e-93 317.1 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 4MF1B Q08881 357 619 620.0 29Y:60701 Type1 Inactive DFGin 4.7416 14.3428 BLAplus -124.99, 172.1 51.55, 46.86 -105.12, 12.48 45.0, 90.17 -92.77, -1.83 in-out in 9.8193 Saltbr-out 4.4817 HRD-in -69.32, -50.71 79.01, -15.78 out-out-out SNCooo out-out ActLoopNT-out 7.3257 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -64.99 APE8-dihe-in -85.8, 80.1 APE8-rot-na 32.91 APE67-dihe-in -59.48, -20.2 -53.72, -34.91 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.7248 C477S,E614A,E617A None None XRAY 2.113 0.177 0.229 B 266.0 244.0 19 29 15 14 [[363, 614]] 1.0 4mf1 TYR_ITK_HUMAN TYR 5e-93 317.1 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: 29Y

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% 4MF1B
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 4MF1A Q08881 357 619 620.0 29Y:60701 Type1 Inactive DFGin 4.2916 14.4868 BLAplus -128.58, 173.62 47.23, 44.4 -102.38, 27.38 55.51, 83.16 -123.42, 25.0 in-out in 9.9354 Saltbr-out 4.2678 HRD-in -68.56, -53.29 81.24, -14.67 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, 79.97 APE8-rot-na 27.54 APE67-dihe-in -68.46, -18.99 -58.04, -26.43 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 C477S,E614A,E617A None None XRAY 2.113 0.177 0.229 A 266.0 241.0 22 29 12 17 [[363, 614]] 1.0 4mf1 Homo sapiens TYR_ITK_HUMAN TYR 5e-93 317.1 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 4MF1B Q08881 357 619 620.0 29Y:60701 Type1 Inactive DFGin 4.7416 14.3428 BLAplus -124.99, 172.1 51.55, 46.86 -105.12, 12.48 45.0, 90.17 -92.77, -1.83 in-out in 9.8193 Saltbr-out 4.4817 HRD-in -69.32, -50.71 79.01, -15.78 out-out-out SNCooo out-out ActLoopNT-out 7.3257 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -64.99 APE8-dihe-in -85.8, 80.1 APE8-rot-na 32.91 APE67-dihe-in -59.48, -20.2 -53.72, -34.91 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.7248 C477S,E614A,E617A None None XRAY 2.113 0.177 0.229 B 266.0 244.0 19 29 15 14 [[363, 614]] 1.0 4mf1 Homo sapiens TYR_ITK_HUMAN TYR 5e-93 317.1 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: 29Y

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