Ligand: MS9

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: MS9

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% 3MS9B
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 3MS9A P00520 230 498 1123.0 STI:60001,MS9:60516 Type2,Allosteric Inactive DFGout 13.6604 10.9917 BBAminus -129.69, -177.84 -146.05, 100.92 -85.37, -0.41 305.07, 135.33 63.76, 47.34 in-in in 8.3409 Saltbr-in 3.1533 HRD-in -79.52, -52.27 83.07, -15.37 in-out-in SNCioi out-in ActLoopNT-out 16.086 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -121.38, 129.78 APE9-dihe-in -118.07, 145.91 APE8-dihe-in -88.08, 91.81 APE8-rot-na 29.01 APE67-dihe-in -75.19, -6.62 -50.02, -40.18 APE12-dist-na 14.3629 APE11-dist-na 12.2197 APE10-dist-na 8.6387 APE9-dist-in 7.5316 None None None XRAY 1.8 0.188 0.234 A 293.0 261.0 8 29 27 2 [[242, 495]] 1.0 3ms9 Mus musculus TYR_ABL1_MOUSE TYR 2.9e-100 340.8 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 3MS9B P00520 229 498 1123.0 STI:60001,MS9:60516 Type2,Allosteric Inactive DFGout 13.6482 10.9444 BBAminus -132.64, -179.46 -143.9, 102.88 -90.37, 5.1 303.67, 135.83 60.73, 51.4 in-in in 8.2919 Saltbr-in 2.7815 HRD-in -83.7, -52.15 86.58, -11.15 in-out-in SNCioi out-in ActLoopNT-out 15.33 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -129.02, 135.09 APE9-dihe-in -128.33, 142.16 APE8-dihe-in -86.14, 87.78 APE8-rot-na 36.31 APE67-dihe-in -76.28, -2.93 -48.89, -43.33 APE12-dist-na 15.5909 APE11-dist-na 13.452 APE10-dist-na 8.8559 APE9-dist-in 7.6276 None None None XRAY 1.8 0.188 0.234 B 293.0 267.0 3 29 29 0 [[242, 495]] 1.0 3ms9 Mus musculus TYR_ABL1_MOUSE TYR 2.9e-100 340.8 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: MS9

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% 3MS9B
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 3MS9A P00520 230 498 1123.0 STI:60001,MS9:60516 Type2,Allosteric Inactive DFGout 13.6604 10.9917 BBAminus -129.69, -177.84 -146.05, 100.92 -85.37, -0.41 305.07, 135.33 63.76, 47.34 in-in in 8.3409 Saltbr-in 3.1533 HRD-in -79.52, -52.27 83.07, -15.37 in-out-in SNCioi out-in ActLoopNT-out 16.086 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -121.38, 129.78 APE9-dihe-in -118.07, 145.91 APE8-dihe-in -88.08, 91.81 APE8-rot-na 29.01 APE67-dihe-in -75.19, -6.62 -50.02, -40.18 APE12-dist-na 14.3629 APE11-dist-na 12.2197 APE10-dist-na 8.6387 APE9-dist-in 7.5316 None None None XRAY 1.8 0.188 0.234 A 293.0 261.0 8 29 27 2 [[242, 495]] 1.0 3ms9 Mus musculus TYR_ABL1_MOUSE TYR 2.9e-100 340.8 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 3MS9B P00520 229 498 1123.0 STI:60001,MS9:60516 Type2,Allosteric Inactive DFGout 13.6482 10.9444 BBAminus -132.64, -179.46 -143.9, 102.88 -90.37, 5.1 303.67, 135.83 60.73, 51.4 in-in in 8.2919 Saltbr-in 2.7815 HRD-in -83.7, -52.15 86.58, -11.15 in-out-in SNCioi out-in ActLoopNT-out 15.33 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -129.02, 135.09 APE9-dihe-in -128.33, 142.16 APE8-dihe-in -86.14, 87.78 APE8-rot-na 36.31 APE67-dihe-in -76.28, -2.93 -48.89, -43.33 APE12-dist-na 15.5909 APE11-dist-na 13.452 APE10-dist-na 8.8559 APE9-dist-in 7.6276 None None None XRAY 1.8 0.188 0.234 B 293.0 267.0 3 29 29 0 [[242, 495]] 1.0 3ms9 Mus musculus TYR_ABL1_MOUSE TYR 2.9e-100 340.8 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