Ligand: XY3

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 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

Ligand: XY3

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 3OY3A
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 ABL1 ABL1_MOUSE 3OY3A P00520 229 511 1123.0 XY3:60001 Type2 Inactive DFGout 12.9466 9.007 BBAminus -137.29, -169.78 -157.65, 128.99 -111.75, 11.85 289.0, 94.91 50.98, 52.65 in-in in 7.8674 Saltbr-in 2.9891 HRD-in -74.78, -52.15 78.88, -9.23 in-out-in SNCioi out-in ActLoopNT-out 15.5658 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.56, 121.47 APE9-dihe-in -112.4, 142.91 APE8-dihe-in -82.9, 85.53 APE8-rot-na 34.55 APE67-dihe-in -73.05, -8.51 -46.67, -46.08 APE12-dist-na 15.6711 APE11-dist-na 11.5488 APE10-dist-na 8.3152 APE9-dist-in 7.9262 T315I None None XRAY 1.95 0.22 0.266 A 284.0 283.0 0 29 29 0 [[242, 495]] 1.0 3oy3 Mus musculus TYR_ABL1_MOUSE TYR 5.2e-100 340.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_MOUSE 3OY3B P00520 229 511 1123.0 XY3:60001 Type2 Inactive DFGout 13.0435 8.8062 BBAminus -137.08, -175.15 -152.62, 125.15 -107.82, 7.08 288.46, 102.59 51.48, 58.3 in-in in 7.8642 Saltbr-in 2.4712 HRD-in -70.89, -52.75 81.95, -16.85 in-out-in SNCioi out-in ActLoopNT-out 15.7399 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -106.39, 125.75 APE9-dihe-in -114.93, 142.91 APE8-dihe-in -80.63, 91.02 APE8-rot-na 31.59 APE67-dihe-in -73.68, -7.56 -52.87, -45.41 APE12-dist-na 15.7295 APE11-dist-na 11.5248 APE10-dist-na 8.2656 APE9-dist-in 7.9883 T315I None None XRAY 1.95 0.22 0.266 B 284.0 283.0 0 29 29 0 [[242, 495]] 1.0 3oy3 Mus musculus TYR_ABL1_MOUSE TYR 5.2e-100 340.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1

Ligand: XY3

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 3OY3A
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 ABL1 ABL1_MOUSE 3OY3A P00520 229 511 1123.0 XY3:60001 Type2 Inactive DFGout 12.9466 9.007 BBAminus -137.29, -169.78 -157.65, 128.99 -111.75, 11.85 289.0, 94.91 50.98, 52.65 in-in in 7.8674 Saltbr-in 2.9891 HRD-in -74.78, -52.15 78.88, -9.23 in-out-in SNCioi out-in ActLoopNT-out 15.5658 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.56, 121.47 APE9-dihe-in -112.4, 142.91 APE8-dihe-in -82.9, 85.53 APE8-rot-na 34.55 APE67-dihe-in -73.05, -8.51 -46.67, -46.08 APE12-dist-na 15.6711 APE11-dist-na 11.5488 APE10-dist-na 8.3152 APE9-dist-in 7.9262 T315I None None XRAY 1.95 0.22 0.266 A 284.0 283.0 0 29 29 0 [[242, 495]] 1.0 3oy3 Mus musculus TYR_ABL1_MOUSE TYR 5.2e-100 340.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_MOUSE 3OY3B P00520 229 511 1123.0 XY3:60001 Type2 Inactive DFGout 13.0435 8.8062 BBAminus -137.08, -175.15 -152.62, 125.15 -107.82, 7.08 288.46, 102.59 51.48, 58.3 in-in in 7.8642 Saltbr-in 2.4712 HRD-in -70.89, -52.75 81.95, -16.85 in-out-in SNCioi out-in ActLoopNT-out 15.7399 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -106.39, 125.75 APE9-dihe-in -114.93, 142.91 APE8-dihe-in -80.63, 91.02 APE8-rot-na 31.59 APE67-dihe-in -73.68, -7.56 -52.87, -45.41 APE12-dist-na 15.7295 APE11-dist-na 11.5248 APE10-dist-na 8.2656 APE9-dist-in 7.9883 T315I None None XRAY 1.95 0.22 0.266 B 284.0 283.0 0 29 29 0 [[242, 495]] 1.0 3oy3 Mus musculus TYR_ABL1_MOUSE TYR 5.2e-100 340.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1