Ligand: B91

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: B91

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% 3KFAA
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 3KFAA P00520 229 511 1123.0 B91:60001 Type2 Inactive DFGout 13.2442 8.8197 BBAminus -142.27, -176.56 -152.63, 125.74 -107.34, 5.74 288.91, 88.99 58.04, 50.09 in-in in 8.1404 Saltbr-in 2.7169 HRD-in -73.85, -48.11 82.13, -13.17 in-out-in SNCioi out-in ActLoopNT-out 15.6397 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.63, 125.03 APE9-dihe-in -114.41, 145.91 APE8-dihe-in -84.21, 85.96 APE8-rot-na 33.66 APE67-dihe-in -73.3, -8.53 -52.44, -41.01 APE12-dist-na 15.8025 APE11-dist-na 11.654 APE10-dist-na 8.6661 APE9-dist-in 7.7127 None None None XRAY 1.22 0.201 0.201 A 288.0 283.0 0 29 29 0 [[242, 495]] 1.0 3kfa Mus musculus TYR_ABL1_MOUSE TYR 2.7e-100 340.9 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 3KFAB P00520 229 511 1123.0 B91:60001 Type2 Inactive DFGout 13.2546 8.8052 BBAminus -140.52, -176.97 -152.37, 125.18 -106.35, 4.72 288.28, 89.94 58.68, 49.29 in-in in 8.1374 Saltbr-in 2.6923 HRD-in -74.33, -47.79 81.87, -12.97 in-out-in SNCioi out-in ActLoopNT-out 15.6035 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.66, 126.45 APE9-dihe-in -115.84, 145.74 APE8-dihe-in -82.6, 85.95 APE8-rot-na 33.9 APE67-dihe-in -74.2, -7.78 -53.04, -40.32 APE12-dist-na 15.7892 APE11-dist-na 11.659 APE10-dist-na 8.7035 APE9-dist-in 7.698 None None None XRAY 1.22 0.201 0.201 B 288.0 283.0 0 29 29 0 [[242, 495]] 1.0 3kfa Mus musculus TYR_ABL1_MOUSE TYR 2.7e-100 340.9 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: B91

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% 3KFAA
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 3KFAA P00520 229 511 1123.0 B91:60001 Type2 Inactive DFGout 13.2442 8.8197 BBAminus -142.27, -176.56 -152.63, 125.74 -107.34, 5.74 288.91, 88.99 58.04, 50.09 in-in in 8.1404 Saltbr-in 2.7169 HRD-in -73.85, -48.11 82.13, -13.17 in-out-in SNCioi out-in ActLoopNT-out 15.6397 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.63, 125.03 APE9-dihe-in -114.41, 145.91 APE8-dihe-in -84.21, 85.96 APE8-rot-na 33.66 APE67-dihe-in -73.3, -8.53 -52.44, -41.01 APE12-dist-na 15.8025 APE11-dist-na 11.654 APE10-dist-na 8.6661 APE9-dist-in 7.7127 None None None XRAY 1.22 0.201 0.201 A 288.0 283.0 0 29 29 0 [[242, 495]] 1.0 3kfa Mus musculus TYR_ABL1_MOUSE TYR 2.7e-100 340.9 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 3KFAB P00520 229 511 1123.0 B91:60001 Type2 Inactive DFGout 13.2546 8.8052 BBAminus -140.52, -176.97 -152.37, 125.18 -106.35, 4.72 288.28, 89.94 58.68, 49.29 in-in in 8.1374 Saltbr-in 2.6923 HRD-in -74.33, -47.79 81.87, -12.97 in-out-in SNCioi out-in ActLoopNT-out 15.6035 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.66, 126.45 APE9-dihe-in -115.84, 145.74 APE8-dihe-in -82.6, 85.95 APE8-rot-na 33.9 APE67-dihe-in -74.2, -7.78 -53.04, -40.32 APE12-dist-na 15.7892 APE11-dist-na 11.659 APE10-dist-na 8.7035 APE9-dist-in 7.698 None None None XRAY 1.22 0.201 0.201 B 288.0 283.0 0 29 29 0 [[242, 495]] 1.0 3kfa Mus musculus TYR_ABL1_MOUSE TYR 2.7e-100 340.9 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