Ligand: P16

Total number of chains: 5
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 4 80.0% 2G2HB
DFGinter None 1 20.0% 2G2HA
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 2G2HA P00519 233 504 1130.0 P16:60532 Type1 Inactive DFGinter 10.338 7.7628 None -69.8, 139.79 -117.08, 21.66 -74.78, -30.76 182.98, 70.09 -83.63, 27.99 in-out in 8.9475 Saltbr-out 8.4749 HRD-out -106.09, 125.25 -68.95, -15.96 out-out-in SNCooi out-in ActLoopNT-out 5.6222 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -111.55, 116.51 APE9-dihe-in -118.82, 162.2 APE8-dihe-in -67.24, 92.86 APE8-rot-na 32.82 APE67-dihe-in -70.58, -6.79 -39.4, -50.98 APE12-dist-na 19.9464 APE11-dist-na 15.2345 APE10-dist-na 17.2038 APE9-dist-in 6.5344 H396P None None XRAY 2.0 0.194 0.213 A 287.0 272.0 0 29 29 0 [[242, 495]] 1.0 2g2h TYR_ABL1_HUMAN TYR 6.9e-100 339.6 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 2G2HB P00519 233 504 1130.0 P16:60532 Type1.5_Back Inactive DFGout 12.6989 10.5001 None -60.13, 139.26 -82.96, -16.55 -75.2, 165.15 55.98, 67.58 79.14, 12.62 in-out in 8.1928 Saltbr-out 6.8591 HRD-out -104.81, 126.85 -89.37, -5.07 out-out-in SNCooi out-in ActLoopNT-out 5.4813 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.1, 135.12 APE9-dihe-in -121.36, 158.85 APE8-dihe-in -60.74, 105.18 APE8-rot-na 332.86 APE67-dihe-in -67.82, -12.38 -45.03, -49.81 APE12-dist-na 18.6686 APE11-dist-na 13.9016 APE10-dist-na 17.2439 APE9-dist-in 6.55 H396P None None XRAY 2.0 0.194 0.213 B 287.0 272.0 0 29 29 0 [[242, 495]] 1.0 2g2h TYR_ABL1_HUMAN TYR 6.9e-100 339.6 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 2FO0A P00519 46 511 1130.0 P16:60702 Type1.5_Back Inactive DFGout 13.4469 11.7849 None -76.52, 118.23 -95.45, 43.06 -89.94, 155.29 62.25, 72.76 62.2, 26.15 in-in in 8.0548 Saltbr-in 3.1541 HRD-in -101.49, -60.91 80.44, -3.96 in-out-in SNCioi out-in ActLoopNT-out 5.7625 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -87.77, 155.96 APE9-dihe-in -130.48, 150.83 APE8-dihe-in -76.1, 87.73 APE8-rot-na 30.01 APE67-dihe-in -55.48, -20.39 -31.31, -58.23 APE12-dist-na 19.757 APE11-dist-na 15.0519 APE10-dist-na 18.0531 APE9-dist-in 7.2256 D363N SEP50 SEP50 XRAY 2.27 0.21 0.246 A 495.0 466.0 0 29 29 0 [[242, 495]] 1.0 2fo0 TYR_ABL1_HUMAN TYR 5.5e-99 337.0 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
TYR ABL1 ABL1_HUMAN 1OPLA P00519 62 512 1130.0 P16:60539 Type1.5_Back Inactive DFGout 12.8079 11.6702 None -65.59, 134.14 -116.03, 33.28 -83.5, 159.91 53.21, 70.33 67.06, 8.01 in-in in 7.9532 Saltbr-in 2.9441 HRD-in -97.12, -53.99 73.72, -6.86 in-out-in SNCioi out-in ActLoopNT-out 5.5535 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.98, 127.83 APE9-dihe-in -117.56, 161.51 APE8-dihe-in -80.15, 93.03 APE8-rot-na 30.65 APE67-dihe-in -63.53, -19.0 -41.82, -48.43 APE12-dist-na 19.4826 APE11-dist-na 14.757 APE10-dist-na 17.4347 APE9-dist-in 7.1249 K12R,D363N None None XRAY 3.42 0.306 0.315 A 537.0 451.0 0 29 29 0 [[242, 495]] 1.0 1opl TYR_ABL1_HUMAN TYR 6.7e-99 336.7 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 1OPLB P00519 121 499 1130.0 P16:60538 Type1.5_Back Inactive DFGout 12.1961 11.5899 None -63.84, 141.4 -115.91, 33.22 -83.51, 160.0 53.06, 70.48 67.02, 7.94 in-in in 7.991 Saltbr-in 2.943 HRD-in -97.28, -53.9 73.81, -6.95 in-out-in SNCioi out-in ActLoopNT-out 5.553 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.01, 127.73 APE9-dihe-in -117.46, 161.57 APE8-dihe-in -80.14, 92.99 APE8-rot-na 30.73 APE67-dihe-in -63.44, -19.12 -41.75, -48.48 APE12-dist-na 19.4824 APE11-dist-na 14.7574 APE10-dist-na 17.4356 APE9-dist-in 7.1251 K12R,D363N None None XRAY 3.42 0.306 0.315 B 537.0 365.0 0 29 29 0 [[242, 495]] 1.0 1opl TYR_ABL1_HUMAN TYR 6.7e-99 336.7 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: P16

Total number of chains: 6
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 5 83.3% 1OPKA
DFGinter None 1 16.7% 2G2HA
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 2G2HA P00519 233 504 1130.0 P16:60532 Type1 Inactive DFGinter 10.338 7.7628 None -69.8, 139.79 -117.08, 21.66 -74.78, -30.76 182.98, 70.09 -83.63, 27.99 in-out in 8.9475 Saltbr-out 8.4749 HRD-out -106.09, 125.25 -68.95, -15.96 out-out-in SNCooi out-in ActLoopNT-out 5.6222 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -111.55, 116.51 APE9-dihe-in -118.82, 162.2 APE8-dihe-in -67.24, 92.86 APE8-rot-na 32.82 APE67-dihe-in -70.58, -6.79 -39.4, -50.98 APE12-dist-na 19.9464 APE11-dist-na 15.2345 APE10-dist-na 17.2038 APE9-dist-in 6.5344 H396P None None XRAY 2.0 0.194 0.213 A 287.0 272.0 0 29 29 0 [[242, 495]] 1.0 2g2h Homo sapiens TYR_ABL1_HUMAN TYR 6.9e-100 339.6 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 2G2HB P00519 233 504 1130.0 P16:60532 Type1.5_Back Inactive DFGout 12.6989 10.5001 None -60.13, 139.26 -82.96, -16.55 -75.2, 165.15 55.98, 67.58 79.14, 12.62 in-out in 8.1928 Saltbr-out 6.8591 HRD-out -104.81, 126.85 -89.37, -5.07 out-out-in SNCooi out-in ActLoopNT-out 5.4813 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.1, 135.12 APE9-dihe-in -121.36, 158.85 APE8-dihe-in -60.74, 105.18 APE8-rot-na 332.86 APE67-dihe-in -67.82, -12.38 -45.03, -49.81 APE12-dist-na 18.6686 APE11-dist-na 13.9016 APE10-dist-na 17.2439 APE9-dist-in 6.55 H396P None None XRAY 2.0 0.194 0.213 B 287.0 272.0 0 29 29 0 [[242, 495]] 1.0 2g2h Homo sapiens TYR_ABL1_HUMAN TYR 6.9e-100 339.6 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 2FO0A P00519 46 511 1130.0 P16:60702 Type1.5_Back Inactive DFGout 13.4469 11.7849 None -76.52, 118.23 -95.45, 43.06 -89.94, 155.29 62.25, 72.76 62.2, 26.15 in-in in 8.0548 Saltbr-in 3.1541 HRD-in -101.49, -60.91 80.44, -3.96 in-out-in SNCioi out-in ActLoopNT-out 5.7625 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -87.77, 155.96 APE9-dihe-in -130.48, 150.83 APE8-dihe-in -76.1, 87.73 APE8-rot-na 30.01 APE67-dihe-in -55.48, -20.39 -31.31, -58.23 APE12-dist-na 19.757 APE11-dist-na 15.0519 APE10-dist-na 18.0531 APE9-dist-in 7.2256 D363N SEP50 SEP50 XRAY 2.27 0.21 0.246 A 495.0 466.0 0 29 29 0 [[242, 495]] 1.0 2fo0 Homo sapiens TYR_ABL1_HUMAN TYR 5.5e-99 337.0 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
TYR ABL1 ABL1_HUMAN 1OPLA P00519 62 512 1130.0 P16:60539 Type1.5_Back Inactive DFGout 12.8079 11.6702 None -65.59, 134.14 -116.03, 33.28 -83.5, 159.91 53.21, 70.33 67.06, 8.01 in-in in 7.9532 Saltbr-in 2.9441 HRD-in -97.12, -53.99 73.72, -6.86 in-out-in SNCioi out-in ActLoopNT-out 5.5535 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.98, 127.83 APE9-dihe-in -117.56, 161.51 APE8-dihe-in -80.15, 93.03 APE8-rot-na 30.65 APE67-dihe-in -63.53, -19.0 -41.82, -48.43 APE12-dist-na 19.4826 APE11-dist-na 14.757 APE10-dist-na 17.4347 APE9-dist-in 7.1249 K12R,D363N None None XRAY 3.42 0.306 0.315 A 537.0 451.0 0 29 29 0 [[242, 495]] 1.0 1opl Homo sapiens TYR_ABL1_HUMAN TYR 6.7e-99 336.7 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 1OPLB P00519 121 499 1130.0 P16:60538 Type1.5_Back Inactive DFGout 12.1961 11.5899 None -63.84, 141.4 -115.91, 33.22 -83.51, 160.0 53.06, 70.48 67.02, 7.94 in-in in 7.991 Saltbr-in 2.943 HRD-in -97.28, -53.9 73.81, -6.95 in-out-in SNCioi out-in ActLoopNT-out 5.553 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.01, 127.73 APE9-dihe-in -117.46, 161.57 APE8-dihe-in -80.14, 92.99 APE8-rot-na 30.73 APE67-dihe-in -63.44, -19.12 -41.75, -48.48 APE12-dist-na 19.4824 APE11-dist-na 14.7574 APE10-dist-na 17.4356 APE9-dist-in 7.1251 K12R,D363N None None XRAY 3.42 0.306 0.315 B 537.0 365.0 0 29 29 0 [[242, 495]] 1.0 1opl Homo sapiens TYR_ABL1_HUMAN TYR 6.7e-99 336.7 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_MOUSE 1OPKA P00520 64 512 1123.0 P16:60002 Type1.5_Back Inactive DFGout 12.8526 11.5242 None -65.37, 134.02 -116.02, 33.5 -83.75, 159.92 53.06, 70.43 67.02, 7.91 in-in in 7.9566 Saltbr-in 2.9399 HRD-in -97.25, -54.03 73.87, -6.88 in-out-in SNCioi out-in ActLoopNT-out 5.5583 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.1, 127.8 APE9-dihe-in -117.64, 161.56 APE8-dihe-in -80.21, 93.15 APE8-rot-na 30.65 APE67-dihe-in -63.48, -19.22 -41.98, -48.41 APE12-dist-na 19.4802 APE11-dist-na 14.7534 APE10-dist-na 17.431 APE9-dist-in 7.1248 D363N None None XRAY 1.8 0.196 0.221 A 495.0 449.0 0 29 29 0 [[242, 495]] 1.0 1opk Mus musculus TYR_ABL1_MOUSE TYR 5.5e-99 337.0 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: P16

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 1 100.0% 1OPKA
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 1OPKA P00520 64 512 1123.0 P16:60002 Type1.5_Back Inactive DFGout 12.8526 11.5242 None -65.37, 134.02 -116.02, 33.5 -83.75, 159.92 53.06, 70.43 67.02, 7.91 in-in in 7.9566 Saltbr-in 2.9399 HRD-in -97.25, -54.03 73.87, -6.88 in-out-in SNCioi out-in ActLoopNT-out 5.5583 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.1, 127.8 APE9-dihe-in -117.64, 161.56 APE8-dihe-in -80.21, 93.15 APE8-rot-na 30.65 APE67-dihe-in -63.48, -19.22 -41.98, -48.41 APE12-dist-na 19.4802 APE11-dist-na 14.7534 APE10-dist-na 17.431 APE9-dist-in 7.1248 D363N None None XRAY 1.8 0.196 0.221 A 495.0 449.0 0 29 29 0 [[242, 495]] 1.0 1opk Mus musculus TYR_ABL1_MOUSE TYR 5.5e-99 337.0 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