Ligand: KWD

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% 6NPEA
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 6NPEA P00519 232 500 1130.0 STI:60603,KWD:60604 Type2,Allosteric Inactive DFGout 13.751 11.2768 BBAminus -132.09, -171.87 -150.82, 100.43 -86.72, -1.03 301.5, 131.9 61.32, 51.13 in-in in 8.1711 Saltbr-in 2.7788 HRD-in -75.05, -56.53 78.97, -9.5 in-out-in SNCioi out-in ActLoopNT-out 15.7357 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -120.77, 121.63 APE9-dihe-in -123.35, 140.69 APE8-dihe-in -84.02, 84.76 APE8-rot-na 23.95 APE67-dihe-in -76.42, -6.93 -49.4, -44.5 APE12-dist-na 16.5922 APE11-dist-na 12.7878 APE10-dist-na 8.7525 APE9-dist-in 7.8443 None None None XRAY 2.15 0.187 0.212 A 298.0 264.0 5 29 29 0 [[242, 495]] 1.0 6npe TYR_ABL1_HUMAN TYR 3.1e-100 340.7 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 6NPEB P00519 233 511 1130.0 STI:60603,KWD:60604 Type2,Allosteric Inactive DFGout 13.8401 11.1015 BBAminus -129.89, -169.38 -152.66, 105.04 -92.73, -27.9 303.95, 134.44 82.3, 999.0 in-in in 8.2217 Saltbr-in 2.6842 HRD-in -80.48, -54.98 79.49, -7.09 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 146.9 APE8-dihe-in -75.88, 86.79 APE8-rot-na 23.52 APE67-dihe-in -70.62, -18.32 -51.39, -37.96 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.6859 None None None XRAY 2.15 0.187 0.212 B 298.0 256.0 23 29 12 17 [[242, 495]] 1.0 6npe TYR_ABL1_HUMAN TYR 3.1e-100 340.7 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: KWD

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% 6NPEA
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 6NPEA P00519 232 500 1130.0 STI:60603,KWD:60604 Type2,Allosteric Inactive DFGout 13.751 11.2768 BBAminus -132.09, -171.87 -150.82, 100.43 -86.72, -1.03 301.5, 131.9 61.32, 51.13 in-in in 8.1711 Saltbr-in 2.7788 HRD-in -75.05, -56.53 78.97, -9.5 in-out-in SNCioi out-in ActLoopNT-out 15.7357 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -120.77, 121.63 APE9-dihe-in -123.35, 140.69 APE8-dihe-in -84.02, 84.76 APE8-rot-na 23.95 APE67-dihe-in -76.42, -6.93 -49.4, -44.5 APE12-dist-na 16.5922 APE11-dist-na 12.7878 APE10-dist-na 8.7525 APE9-dist-in 7.8443 None None None XRAY 2.15 0.187 0.212 A 298.0 264.0 5 29 29 0 [[242, 495]] 1.0 6npe Homo sapiens TYR_ABL1_HUMAN TYR 3.1e-100 340.7 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 6NPEB P00519 233 511 1130.0 STI:60603,KWD:60604 Type2,Allosteric Inactive DFGout 13.8401 11.1015 BBAminus -129.89, -169.38 -152.66, 105.04 -92.73, -27.9 303.95, 134.44 82.3, 999.0 in-in in 8.2217 Saltbr-in 2.6842 HRD-in -80.48, -54.98 79.49, -7.09 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 146.9 APE8-dihe-in -75.88, 86.79 APE8-rot-na 23.52 APE67-dihe-in -70.62, -18.32 -51.39, -37.96 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.6859 None None None XRAY 2.15 0.187 0.212 B 298.0 256.0 23 29 12 17 [[242, 495]] 1.0 6npe Homo sapiens TYR_ABL1_HUMAN TYR 3.1e-100 340.7 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: KWD

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