Ligand: AY7 (Asciminib)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 8SSNA
DFGout None 1 33.3% 5MO4A
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 ABL1 ABL1_HUMAN 8SSNB P00519 64 506 1130.0 AY7:60601,SKI:60602 Allosteric,Type1 Inactive DFGin 4.8072 13.6499 BLBplus -122.3, -177.61 58.55, 39.13 -103.24, 130.77 75.83, 117.96 81.37, 999.0 out-out out 13.6196 Saltbr-out 14.026 HRD-in -82.83, -50.46 68.17, -10.38 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, 11.09 APE8-rot-na 31.53 APE67-dihe-in -79.53, -5.66 -99.34, -42.75 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.86 0.3 0.348 B 448.0 385.0 51 29 11 18 [[242, 495]] 1.0 8ssn TYR_ABL1_HUMAN TYR 1.1e-99 339.2 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_HUMAN 8SSNA P00519 64 507 1130.0 AY7:60601,SKI:60602 Allosteric,Type1.5_Back Inactive DFGin 5.4293 12.6961 BLBplus -123.62, -174.23 61.42, 33.23 -93.01, 133.21 53.71, 95.25 73.81, 0.97 out-out out 14.0376 Saltbr-out 13.9888 HRD-in -74.8, -57.17 85.55, -3.37 out-out-none SNCoon out-none ActLoopNT-out 10.2636 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, 36.56 APE8-rot-na 17.66 APE67-dihe-in -74.03, -24.85 -108.88, -37.6 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.86 0.3 0.348 A 448.0 419.0 16 29 18 11 [[242, 495]] 1.0 8ssn TYR_ABL1_HUMAN TYR 1.1e-99 339.2 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_HUMAN 5MO4A P00519 64 512 1130.0 NIL:60601,AY7:60602 Type2,Allosteric Inactive DFGout 13.9474 11.3183 None -138.43, -177.76 -149.4, 98.71 -92.55, 999.0 320.75, 134.82 999.0, 999.0 in-in in 8.1062 Saltbr-in 2.797 HRD-in -66.66, -50.58 73.57, -12.21 in-none-out SNCino 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, -49.47 APE8-dihe-out -61.4, -6.43 APE8-rot-na 335.89 APE67-dihe-in -62.17, -20.21 -56.07, -35.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 12.0984 None None None XRAY 2.17 0.184 0.217 A 495.0 429.0 20 29 11 18 [[242, 495]] 1.0 5mo4 TYR_ABL1_HUMAN TYR 1.1e-98 336.0 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: AY7 (Asciminib)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 8SSNA
DFGout None 1 33.3% 5MO4A
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_HUMAN 8SSNB P00519 64 506 1130.0 AY7:60601,SKI:60602 Allosteric,Type1 Inactive DFGin 4.8072 13.6499 BLBplus -122.3, -177.61 58.55, 39.13 -103.24, 130.77 75.83, 117.96 81.37, 999.0 out-out out 13.6196 Saltbr-out 14.026 HRD-in -82.83, -50.46 68.17, -10.38 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, 11.09 APE8-rot-na 31.53 APE67-dihe-in -79.53, -5.66 -99.34, -42.75 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.86 0.3 0.348 B 448.0 385.0 51 29 11 18 [[242, 495]] 1.0 8ssn Homo sapiens TYR_ABL1_HUMAN TYR 1.1e-99 339.2 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_HUMAN 8SSNA P00519 64 507 1130.0 AY7:60601,SKI:60602 Allosteric,Type1.5_Back Inactive DFGin 5.4293 12.6961 BLBplus -123.62, -174.23 61.42, 33.23 -93.01, 133.21 53.71, 95.25 73.81, 0.97 out-out out 14.0376 Saltbr-out 13.9888 HRD-in -74.8, -57.17 85.55, -3.37 out-out-none SNCoon out-none ActLoopNT-out 10.2636 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, 36.56 APE8-rot-na 17.66 APE67-dihe-in -74.03, -24.85 -108.88, -37.6 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.86 0.3 0.348 A 448.0 419.0 16 29 18 11 [[242, 495]] 1.0 8ssn Homo sapiens TYR_ABL1_HUMAN TYR 1.1e-99 339.2 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_HUMAN 5MO4A P00519 64 512 1130.0 NIL:60601,AY7:60602 Type2,Allosteric Inactive DFGout 13.9474 11.3183 None -138.43, -177.76 -149.4, 98.71 -92.55, 999.0 320.75, 134.82 999.0, 999.0 in-in in 8.1062 Saltbr-in 2.797 HRD-in -66.66, -50.58 73.57, -12.21 in-none-out SNCino 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, -49.47 APE8-dihe-out -61.4, -6.43 APE8-rot-na 335.89 APE67-dihe-in -62.17, -20.21 -56.07, -35.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 12.0984 None None None XRAY 2.17 0.184 0.217 A 495.0 429.0 20 29 11 18 [[242, 495]] 1.0 5mo4 Homo sapiens TYR_ABL1_HUMAN TYR 1.1e-98 336.0 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: AY7 (Asciminib)

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