Ligand: MS7

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: MS7

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 3MSSA
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 3MSSA P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.6024 10.9266 BBAminus -140.22, -178.36 -147.69, 104.27 -89.71, -2.47 299.0, 139.73 66.29, 43.35 in-in in 8.3889 Saltbr-in 3.0948 HRD-in -74.19, -56.0 83.94, -13.58 in-out-in SNCioi out-in ActLoopNT-out 16.2188 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.21, 134.82 APE9-dihe-in -123.76, 144.56 APE8-dihe-in -89.25, 91.24 APE8-rot-na 26.73 APE67-dihe-in -76.81, -6.98 -52.23, -37.7 APE12-dist-na 14.4457 APE11-dist-na 11.9742 APE10-dist-na 8.5807 APE9-dist-in 7.4405 None None None XRAY 1.95 0.172 0.22 A 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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 3MSSB P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.5999 10.8202 BBAminus -134.26, 179.26 -142.74, 100.94 -88.95, 3.79 301.55, 135.44 59.27, 50.16 in-in in 8.1878 Saltbr-in 2.7291 HRD-in -84.32, -52.44 85.34, -18.42 in-out-in SNCioi out-in ActLoopNT-out 15.3256 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -118.6, 137.91 APE9-dihe-in -132.77, 140.13 APE8-dihe-in -80.01, 89.25 APE8-rot-na 23.44 APE67-dihe-in -77.65, -10.14 -50.83, -40.78 APE12-dist-na 15.5761 APE11-dist-na 13.4863 APE10-dist-na 8.8 APE9-dist-in 7.4545 None None None XRAY 1.95 0.172 0.22 B 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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 3MSSC P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.5909 10.9626 BBAminus -138.8, 179.7 -144.18, 103.21 -86.54, 1.5 302.89, 134.71 58.1, 46.5 in-in in 8.0875 Saltbr-in 3.0475 HRD-in -78.89, -57.09 86.43, -17.08 in-out-in SNCioi out-in ActLoopNT-out 16.1082 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.32, 131.91 APE9-dihe-in -126.48, 145.59 APE8-dihe-in -89.99, 90.94 APE8-rot-na 26.3 APE67-dihe-in -77.37, -6.31 -51.14, -38.56 APE12-dist-na 14.5938 APE11-dist-na 11.8497 APE10-dist-na 8.4632 APE9-dist-in 7.442 None None None XRAY 1.95 0.172 0.22 C 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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 3MSSD P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.5469 10.7877 BBAminus -134.13, -175.99 -148.24, 101.28 -89.17, 5.19 302.32, 137.83 56.24, 49.56 in-in in 8.1921 Saltbr-in 2.7895 HRD-in -83.98, -55.12 89.03, -15.39 in-out-in SNCioi out-in ActLoopNT-out 15.5394 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -124.05, 133.37 APE9-dihe-in -131.92, 141.87 APE8-dihe-in -80.66, 89.72 APE8-rot-na 31.84 APE67-dihe-in -74.69, -8.69 -52.73, -42.14 APE12-dist-na 15.622 APE11-dist-na 13.6062 APE10-dist-na 8.7829 APE9-dist-in 7.554 None None None XRAY 1.95 0.172 0.22 D 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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: MS7

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 3MSSA
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 3MSSA P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.6024 10.9266 BBAminus -140.22, -178.36 -147.69, 104.27 -89.71, -2.47 299.0, 139.73 66.29, 43.35 in-in in 8.3889 Saltbr-in 3.0948 HRD-in -74.19, -56.0 83.94, -13.58 in-out-in SNCioi out-in ActLoopNT-out 16.2188 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.21, 134.82 APE9-dihe-in -123.76, 144.56 APE8-dihe-in -89.25, 91.24 APE8-rot-na 26.73 APE67-dihe-in -76.81, -6.98 -52.23, -37.7 APE12-dist-na 14.4457 APE11-dist-na 11.9742 APE10-dist-na 8.5807 APE9-dist-in 7.4405 None None None XRAY 1.95 0.172 0.22 A 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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 3MSSB P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.5999 10.8202 BBAminus -134.26, 179.26 -142.74, 100.94 -88.95, 3.79 301.55, 135.44 59.27, 50.16 in-in in 8.1878 Saltbr-in 2.7291 HRD-in -84.32, -52.44 85.34, -18.42 in-out-in SNCioi out-in ActLoopNT-out 15.3256 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -118.6, 137.91 APE9-dihe-in -132.77, 140.13 APE8-dihe-in -80.01, 89.25 APE8-rot-na 23.44 APE67-dihe-in -77.65, -10.14 -50.83, -40.78 APE12-dist-na 15.5761 APE11-dist-na 13.4863 APE10-dist-na 8.8 APE9-dist-in 7.4545 None None None XRAY 1.95 0.172 0.22 B 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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 3MSSC P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.5909 10.9626 BBAminus -138.8, 179.7 -144.18, 103.21 -86.54, 1.5 302.89, 134.71 58.1, 46.5 in-in in 8.0875 Saltbr-in 3.0475 HRD-in -78.89, -57.09 86.43, -17.08 in-out-in SNCioi out-in ActLoopNT-out 16.1082 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.32, 131.91 APE9-dihe-in -126.48, 145.59 APE8-dihe-in -89.99, 90.94 APE8-rot-na 26.3 APE67-dihe-in -77.37, -6.31 -51.14, -38.56 APE12-dist-na 14.5938 APE11-dist-na 11.8497 APE10-dist-na 8.4632 APE9-dist-in 7.442 None None None XRAY 1.95 0.172 0.22 C 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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 3MSSD P00520 232 498 1123.0 STI:60001,MS7:60516 Type2,Allosteric Inactive DFGout 13.5469 10.7877 BBAminus -134.13, -175.99 -148.24, 101.28 -89.17, 5.19 302.32, 137.83 56.24, 49.56 in-in in 8.1921 Saltbr-in 2.7895 HRD-in -83.98, -55.12 89.03, -15.39 in-out-in SNCioi out-in ActLoopNT-out 15.5394 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -124.05, 133.37 APE9-dihe-in -131.92, 141.87 APE8-dihe-in -80.66, 89.72 APE8-rot-na 31.84 APE67-dihe-in -74.69, -8.69 -52.73, -42.14 APE12-dist-na 15.622 APE11-dist-na 13.6062 APE10-dist-na 8.7829 APE9-dist-in 7.554 None None None XRAY 1.95 0.172 0.22 D 293.0 260.0 7 29 28 1 [[242, 495]] 1.0 3mss 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