Ligand: HJ9

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 7DT2B
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 7DT2A P00519 233 500 1130.0 HJ9:601 Type1 Inactive DFGinter 8.472 7.3955 None -67.36, 135.71 -126.94, 46.3 -101.94, -14.95 304.55, 98.79 -112.2, 27.67 in-out in 9.0003 Saltbr-out 3.7981 HRD-in -98.03, -51.7 81.6, -7.87 out-out-in SNCooi out-in ActLoopNT-out 5.7492 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.44, 133.63 APE9-dihe-in -118.19, 150.76 APE8-dihe-in -62.24, 99.73 APE8-rot-na 22.52 APE67-dihe-in -73.29, -7.91 -58.82, -45.37 APE12-dist-na 19.6063 APE11-dist-na 14.9562 APE10-dist-na 17.8178 APE9-dist-in 7.2588 None None None XRAY 2.3 0.208 0.237 A 310.0 265.0 3 29 29 0 [[242, 495]] 1.0 7dt2 TYR_ABL1_HUMAN TYR 3.6e-100 340.5 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 7DT2B P00519 233 500 1130.0 HJ9:601 Type1 Inactive DFGinter 8.633 7.8528 None -67.09, 137.47 -125.9, 46.84 -103.12, -16.04 307.9, 99.91 -112.15, 26.28 in-out in 9.5935 Saltbr-out 4.0836 HRD-in -96.99, -47.74 84.36, -13.26 out-out-in SNCooi out-in ActLoopNT-out 5.563 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.22, 136.31 APE9-dihe-in -118.25, 150.94 APE8-dihe-in -59.92, 103.33 APE8-rot-na 21.91 APE67-dihe-in -72.55, -10.92 -57.38, -43.07 APE12-dist-na 18.6276 APE11-dist-na 13.9652 APE10-dist-na 17.3546 APE9-dist-in 6.6653 None None None XRAY 2.3 0.208 0.237 B 310.0 267.0 1 29 29 0 [[242, 495]] 1.0 7dt2 TYR_ABL1_HUMAN TYR 3.6e-100 340.5 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: HJ9

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 7DT2B
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 7DT2A P00519 233 500 1130.0 HJ9:601 Type1 Inactive DFGinter 8.472 7.3955 None -67.36, 135.71 -126.94, 46.3 -101.94, -14.95 304.55, 98.79 -112.2, 27.67 in-out in 9.0003 Saltbr-out 3.7981 HRD-in -98.03, -51.7 81.6, -7.87 out-out-in SNCooi out-in ActLoopNT-out 5.7492 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.44, 133.63 APE9-dihe-in -118.19, 150.76 APE8-dihe-in -62.24, 99.73 APE8-rot-na 22.52 APE67-dihe-in -73.29, -7.91 -58.82, -45.37 APE12-dist-na 19.6063 APE11-dist-na 14.9562 APE10-dist-na 17.8178 APE9-dist-in 7.2588 None None None XRAY 2.3 0.208 0.237 A 310.0 265.0 3 29 29 0 [[242, 495]] 1.0 7dt2 Homo sapiens TYR_ABL1_HUMAN TYR 3.6e-100 340.5 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 7DT2B P00519 233 500 1130.0 HJ9:601 Type1 Inactive DFGinter 8.633 7.8528 None -67.09, 137.47 -125.9, 46.84 -103.12, -16.04 307.9, 99.91 -112.15, 26.28 in-out in 9.5935 Saltbr-out 4.0836 HRD-in -96.99, -47.74 84.36, -13.26 out-out-in SNCooi out-in ActLoopNT-out 5.563 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.22, 136.31 APE9-dihe-in -118.25, 150.94 APE8-dihe-in -59.92, 103.33 APE8-rot-na 21.91 APE67-dihe-in -72.55, -10.92 -57.38, -43.07 APE12-dist-na 18.6276 APE11-dist-na 13.9652 APE10-dist-na 17.3546 APE9-dist-in 6.6653 None None None XRAY 2.3 0.208 0.237 B 310.0 267.0 1 29 29 0 [[242, 495]] 1.0 7dt2 Homo sapiens TYR_ABL1_HUMAN TYR 3.6e-100 340.5 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: HJ9

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