Ligand: VX6 (Tozasertib)

Total number of chains: 12
Active chains: 1
Total number of genes: 7
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 33.3% 2F4JA
DFGinter None 4 33.3% 4ZOGA
DFGin ABAminus 3 25.0% 3AMBA
DFGout None 1 8.3% 4ZOGB
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
AGC PRKACA KAPCA_HUMAN 3AMBA P17612 4 351 351.0 VX6:60351 Type1 Inactive DFGin 5.087 14.2922 ABAminus -95.17, -47.0 -99.94, 115.14 -101.01, 17.86 279.8, 67.75 -53.93, -36.65 in-in in 9.4162 Saltbr-in 2.7867 HRD-in -85.39, -50.26 66.81, 7.13 in-in-in SNCiii in-in ActLoopNT-in 2.8909 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.26, 159.46 APE9-dihe-na 131.88, -164.87 APE8-dihe-in -118.92, 127.93 APE8-rot-in 300.49 APE67-dihe-in -60.18, -24.15 -37.91, -53.92 APE12-dist-in 8.1946 APE11-dist-in 11.5803 APE10-dist-in 6.013 APE9-dist-in 3.6414 K48R,L96Q,M121L,V124A,Q182K,T184A SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.25 0.214 0.256 A 351.0 343.0 0 25 25 0 [[44, 298]] 1.0 3amb AGC_PRKACA_HUMAN AGC 7.9e-93 316.4 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
CAMK AURKA AURKA_HUMAN 3E5AA O14965 125 389 403.0 VX6:500 Type1 Inactive DFGin 5.6075 15.6633 ABAminus -111.1, -40.76 -107.64, 114.77 -109.11, 20.41 286.45, 70.32 -57.36, -21.14 out-out out 10.6576 Saltbr-out 4.0692 HRD-in -71.98, -58.6 78.66, 11.03 out-in-in SNCoii in-in ActLoopNT-in 2.9414 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.8, 157.55 APE9-dihe-na 131.17, -154.51 APE8-dihe-in -121.72, 132.24 APE8-rot-in 299.23 APE67-dihe-in -74.97, -7.03 -28.17, -59.24 APE12-dist-in 8.1153 APE11-dist-in 10.9246 APE10-dist-in 5.2926 APE9-dist-in 3.622 None TPO288 TPO288 XRAY 2.3 0.206 0.256 A 268.0 265.0 0 26 26 0 [[133, 383]] 1.0 3e5a CAMK_AURKA_HUMAN CAMK 6.1e-80 274.1 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 4JBQA O14965 126 391 403.0 VX6:501 Type1 Inactive DFGinter 5.8629 8.9774 None -117.17, -3.86 -81.51, -172.59 -125.34, 20.35 277.47, 29.16 -74.78, 56.29 out-out out 12.3249 Saltbr-out 9.4595 HRD-out -106.24, 150.32 -82.52, -162.88 out-out-out SNCooo out-out ActLoopNT-out 5.4198 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 124.19 APE9-dihe-na 110.15, 136.99 APE8-dihe-in -65.42, 141.32 APE8-rot-out 182.94 APE67-dihe-in -48.15, -34.26 -90.56, -13.86 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 16.7182 APE9-dist-out 13.3126 T288D None None XRAY 2.3 0.227 0.282 A 279.0 257.0 9 26 17 9 [[133, 383]] 1.0 4jbq CAMK_AURKA_HUMAN CAMK 1.6e-79 272.8 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKB AURKB_HUMAN 4AF3A Q96GD4 70 338 344.0 VX6:500 Type1 Inactive DFGinter 6.2261 9.0798 None -112.4, 112.13 -127.45, 99.79 -141.88, 168.72 285.68, 83.55 155.44, 999.0 out-out out 12.1796 Saltbr-out 9.9295 HRD-out -154.61, 151.72 -150.08, 147.62 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -62.83, -29.23 999.0, -55.56 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.75 0.208 0.264 A 292.0 253.0 16 26 10 16 [[77, 327]] 1.0 4af3 CAMK_AURKB_HUMAN CAMK 3.6e-80 274.9 1.0 256.0 256.0 217 218 219 221 223 106 125 129 197 199 198 200.0 255 243 238 237 236 235 234 233 232 155 Aurora kinase B
CAMK AURKC AURKC_HUMAN 6GR9A Q9UQB9 37 305 309.0 VX6:401 Type1 Inactive DFGin 5.9382 15.1017 ABAminus -116.97, -17.33 -115.02, 131.77 -126.35, 27.77 291.73, 89.0 -57.7, -38.57 out-out out 10.9087 Saltbr-out 5.4158 HRD-in -77.17, -52.25 75.0, 6.87 out-in-in SNCoii in-in ActLoopNT-in 3.0211 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.06, 148.63 APE9-dihe-na 113.49, -141.6 APE8-dihe-in -139.5, 128.62 APE8-rot-in 303.24 APE67-dihe-in -70.15, -13.16 -34.43, -58.2 APE12-dist-in 8.5859 APE11-dist-in 10.6274 APE10-dist-in 5.1897 APE9-dist-in 3.7549 None TPO39,TPO198 TPO39,TPO198 XRAY 2.25 0.184 0.224 A 274.0 269.0 0 26 26 0 [[43, 293]] 1.0 6gr9 CAMK_AURKC_HUMAN CAMK 1e-80 276.7 1.0 256.0 256.0 183 184 185 187 189 72 91 95 163 165 164 166.0 221 209 204 203 202 201 200 199 198 121 Aurora kinase C
TYR ABL1 ABL1_HUMAN 2F4JA P00519 227 513 1130.0 VX6:514 Type1 Active DFGin 6.8309 13.6299 BLAminus -139.09, -163.86 46.92, 83.86 -101.63, 25.32 309.5, 96.14 -54.55, -28.15 in-in in 8.0798 Saltbr-in 2.5828 HRD-in -88.91, -46.94 72.68, 7.25 in-in-in SNCiii in-in ActLoopNT-in 2.8344 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.54, 142.96 APE9-dihe-in -128.46, 161.87 APE8-dihe-in -67.39, 90.98 APE8-rot-na 332.91 APE67-dihe-in -62.36, -25.51 -37.57, -50.75 APE12-dist-na 15.2356 APE11-dist-na 10.4431 APE10-dist-na 13.0857 APE9-dist-in 7.3216 H396P None None XRAY 1.91 0.207 0.239 A 287.0 287.0 0 29 29 0 [[242, 495]] 1.0 2f4j 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 4ZOGA P00519 233 501 1130.0 VX6:601 Type1 Inactive DFGinter 9.0345 8.1883 None -67.97, 132.1 -127.82, 25.62 -66.74, -66.47 163.98, 49.73 -79.37, 45.35 out-out out 10.9745 Saltbr-out 6.7673 HRD-out -91.32, 151.74 -125.52, 16.46 out-out-in SNCooi out-in ActLoopNT-out 5.5021 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -110.42, 138.31 APE9-dihe-in -118.45, 160.42 APE8-dihe-in -78.39, 96.94 APE8-rot-na 30.14 APE67-dihe-in -71.46, -10.56 -52.82, -45.85 APE12-dist-na 19.8085 APE11-dist-na 15.163 APE10-dist-na 17.4227 APE9-dist-in 7.1442 None None None XRAY 2.3 0.187 0.233 A 283.0 269.0 0 29 29 0 [[242, 495]] 1.0 4zog TYR_ABL1_HUMAN TYR 2.6e-100 341.0 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 4ZOGB P00519 234 503 1130.0 VX6:601 Type1 Inactive DFGout 11.7889 11.8279 None -72.45, 126.77 -115.82, 44.9 -59.71, -111.34 30.08, 49.18 -63.43, 48.35 in-in in 8.8801 Saltbr-in 3.108 HRD-in -92.87, -52.54 77.42, -2.86 in-out-in SNCioi out-in ActLoopNT-out 5.5005 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -108.26, 120.92 APE9-dihe-in -100.0, 141.29 APE8-dihe-in -74.27, 97.66 APE8-rot-na 25.54 APE67-dihe-in -72.2, -10.54 -59.59, -40.07 APE12-dist-na 17.8557 APE11-dist-na 13.8579 APE10-dist-na 16.2066 APE9-dist-in 6.9896 None None None XRAY 2.3 0.187 0.233 B 283.0 268.0 2 29 27 2 [[242, 495]] 1.0 4zog TYR_ABL1_HUMAN TYR 2.6e-100 341.0 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 ABL2 ABL2_HUMAN 2XYNA P42684 280 545 1182.0 VX6:547 Type1 None DFGin 6.7261 13.6649 BLAminus -141.99, -170.21 61.28, 77.47 -101.93, 23.58 303.32, 105.26 -52.42, -36.84 in-none in 8.1058 Saltbr-none 999.0 HRD-in -82.56, -45.09 67.49, 2.25 none-in-in SNCnii in-in ActLoopNT-in 2.8482 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -121.06, 130.57 APE9-dihe-in -121.58, 155.8 APE8-dihe-in -71.6, 101.71 APE8-rot-na 8.43 APE67-dihe-in -61.12, -28.03 -60.11, -40.42 APE12-dist-na 15.1229 APE11-dist-na 10.4578 APE10-dist-na 12.9615 APE9-dist-in 7.277 None None None XRAY 2.81 0.248 0.284 A 292.0 264.0 2 29 29 0 [[288, 541]] 1.0 2xyn TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
TYR ABL2 ABL2_HUMAN 2XYNB P42684 280 545 1182.0 VX6:547,VX6:548,VX6:549 Type1,Allosteric,Allosteric None DFGin 6.7874 14.1937 BLAminus -138.52, -171.96 62.0, 76.57 -98.4, 37.01 307.54, 93.03 -56.63, -28.99 in-none in 7.8076 Saltbr-none 999.0 HRD-in -81.21, -46.34 70.67, 2.12 none-in-in SNCnii in-in ActLoopNT-in 2.9156 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -121.55, 131.03 APE9-dihe-in -120.39, 161.06 APE8-dihe-in -76.17, 99.71 APE8-rot-na 7.55 APE67-dihe-in -60.42, -29.93 -57.47, -41.84 APE12-dist-na 15.2497 APE11-dist-na 10.5378 APE10-dist-na 13.0049 APE9-dist-in 7.2355 None None None XRAY 2.81 0.248 0.284 B 292.0 264.0 2 29 29 0 [[288, 541]] 1.0 2xyn TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
TYR ABL2 ABL2_HUMAN 2XYNC P42684 281 544 1182.0 VX6:547,VX6:548,VX6:549 Type1,Allosteric,Allosteric None DFGin 6.5211 13.6353 BLAminus -141.45, -177.42 57.6, 72.0 -90.09, 30.83 307.64, 101.04 -59.75, -48.16 in-none in 8.5826 Saltbr-none 999.0 HRD-in -84.39, -43.51 69.55, 0.12 none-in-in SNCnii in-in ActLoopNT-in 2.8247 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -120.88, 131.51 APE9-dihe-in -121.6, 159.94 APE8-dihe-in -76.78, 100.51 APE8-rot-na 6.7 APE67-dihe-in -59.8, -28.69 -55.61, -43.88 APE12-dist-na 14.8175 APE11-dist-na 10.133 APE10-dist-na 12.4878 APE9-dist-in 7.2426 None None None XRAY 2.81 0.248 0.284 C 292.0 262.0 2 29 29 0 [[288, 541]] 1.0 2xyn TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
TYR DDR1 DDR1_HUMAN 6BRJA Q08345 605 913 913.0 VX6:60901 Type1 Inactive DFGinter 9.8419 6.4441 None -75.98, 130.59 -108.73, 22.4 -131.46, 172.46 67.8, 95.77 -125.27, 159.76 in-in in 8.6073 Saltbr-in 2.4755 HRD-in -69.59, -46.48 76.5, -9.43 in-out-in SNCioi out-in ActLoopNT-out 18.1621 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.43, 114.86 APE9-dihe-in -119.04, 131.61 APE8-dihe-in -82.29, 70.03 APE8-rot-na 39.02 APE67-dihe-in -70.78, -15.74 -55.16, -32.48 APE12-dist-na 18.2372 APE11-dist-na 14.8492 APE10-dist-na 11.0836 APE9-dist-in 7.3649 None None None XRAY 2.231 0.189 0.223 A 351.0 274.0 35 30 30 0 [[610, 907]] 1.0 6brj TYR_DDR1_HUMAN TYR 2.3e-92 315.0 1.0 260.0 260.0 783 784 785 787 789 655 672 676 763 765 764 766.0 825 813 808 807 806 805 804 803 802 702 Epithelial discoidin domain-containing receptor 1

Ligand: VX6 (Tozasertib)

Total number of chains: 15
Active chains: 1
Total number of genes: 9
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 5 33.3% 4B8MA
DFGin BLAminus 5 33.3% 2F4JA
DFGinter None 4 26.7% 4ZOGA
DFGout None 1 6.7% 4ZOGB
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
AGC PRKACA KAPCA_HUMAN 3AMBA P17612 4 351 351.0 VX6:60351 Type1 Inactive DFGin 5.087 14.2922 ABAminus -95.17, -47.0 -99.94, 115.14 -101.01, 17.86 279.8, 67.75 -53.93, -36.65 in-in in 9.4162 Saltbr-in 2.7867 HRD-in -85.39, -50.26 66.81, 7.13 in-in-in SNCiii in-in ActLoopNT-in 2.8909 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.26, 159.46 APE9-dihe-na 131.88, -164.87 APE8-dihe-in -118.92, 127.93 APE8-rot-in 300.49 APE67-dihe-in -60.18, -24.15 -37.91, -53.92 APE12-dist-in 8.1946 APE11-dist-in 11.5803 APE10-dist-in 6.013 APE9-dist-in 3.6414 K48R,L96Q,M121L,V124A,Q182K,T184A SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.25 0.214 0.256 A 351.0 343.0 0 25 25 0 [[44, 298]] 1.0 3amb Homo sapiens AGC_PRKACA_HUMAN AGC 7.9e-93 316.4 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
CAMK AURKA AURKA_HUMAN 3E5AA O14965 125 389 403.0 VX6:500 Type1 Inactive DFGin 5.6075 15.6633 ABAminus -111.1, -40.76 -107.64, 114.77 -109.11, 20.41 286.45, 70.32 -57.36, -21.14 out-out out 10.6576 Saltbr-out 4.0692 HRD-in -71.98, -58.6 78.66, 11.03 out-in-in SNCoii in-in ActLoopNT-in 2.9414 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.8, 157.55 APE9-dihe-na 131.17, -154.51 APE8-dihe-in -121.72, 132.24 APE8-rot-in 299.23 APE67-dihe-in -74.97, -7.03 -28.17, -59.24 APE12-dist-in 8.1153 APE11-dist-in 10.9246 APE10-dist-in 5.2926 APE9-dist-in 3.622 None TPO288 TPO288 XRAY 2.3 0.206 0.256 A 268.0 265.0 0 26 26 0 [[133, 383]] 1.0 3e5a Homo sapiens CAMK_AURKA_HUMAN CAMK 6.1e-80 274.1 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 4JBQA O14965 126 391 403.0 VX6:501 Type1 Inactive DFGinter 5.8629 8.9774 None -117.17, -3.86 -81.51, -172.59 -125.34, 20.35 277.47, 29.16 -74.78, 56.29 out-out out 12.3249 Saltbr-out 9.4595 HRD-out -106.24, 150.32 -82.52, -162.88 out-out-out SNCooo out-out ActLoopNT-out 5.4198 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 124.19 APE9-dihe-na 110.15, 136.99 APE8-dihe-in -65.42, 141.32 APE8-rot-out 182.94 APE67-dihe-in -48.15, -34.26 -90.56, -13.86 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 16.7182 APE9-dist-out 13.3126 T288D None None XRAY 2.3 0.227 0.282 A 279.0 257.0 9 26 17 9 [[133, 383]] 1.0 4jbq Homo sapiens CAMK_AURKA_HUMAN CAMK 1.6e-79 272.8 1.0 256.0 256.0 273 274 275 277 279 162 181 185 253 255 254 256.0 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKB AURKB_HUMAN 4AF3A Q96GD4 70 338 344.0 VX6:500 Type1 Inactive DFGinter 6.2261 9.0798 None -112.4, 112.13 -127.45, 99.79 -141.88, 168.72 285.68, 83.55 155.44, 999.0 out-out out 12.1796 Saltbr-out 9.9295 HRD-out -154.61, 151.72 -150.08, 147.62 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -62.83, -29.23 999.0, -55.56 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.75 0.208 0.264 A 292.0 253.0 16 26 10 16 [[77, 327]] 1.0 4af3 Homo sapiens CAMK_AURKB_HUMAN CAMK 3.6e-80 274.9 1.0 256.0 256.0 217 218 219 221 223 106 125 129 197 199 198 200.0 255 243 238 237 236 235 234 233 232 155 Aurora kinase B
CAMK AURKC AURKC_HUMAN 6GR9A Q9UQB9 37 305 309.0 VX6:401 Type1 Inactive DFGin 5.9382 15.1017 ABAminus -116.97, -17.33 -115.02, 131.77 -126.35, 27.77 291.73, 89.0 -57.7, -38.57 out-out out 10.9087 Saltbr-out 5.4158 HRD-in -77.17, -52.25 75.0, 6.87 out-in-in SNCoii in-in ActLoopNT-in 3.0211 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.06, 148.63 APE9-dihe-na 113.49, -141.6 APE8-dihe-in -139.5, 128.62 APE8-rot-in 303.24 APE67-dihe-in -70.15, -13.16 -34.43, -58.2 APE12-dist-in 8.5859 APE11-dist-in 10.6274 APE10-dist-in 5.1897 APE9-dist-in 3.7549 None TPO39,TPO198 TPO39,TPO198 XRAY 2.25 0.184 0.224 A 274.0 269.0 0 26 26 0 [[43, 293]] 1.0 6gr9 Homo sapiens CAMK_AURKC_HUMAN CAMK 1e-80 276.7 1.0 256.0 256.0 183 184 185 187 189 72 91 95 163 165 164 166.0 221 209 204 203 202 201 200 199 198 121 Aurora kinase C
TYR ABL1 ABL1_HUMAN 2F4JA P00519 227 513 1130.0 VX6:514 Type1 Active DFGin 6.8309 13.6299 BLAminus -139.09, -163.86 46.92, 83.86 -101.63, 25.32 309.5, 96.14 -54.55, -28.15 in-in in 8.0798 Saltbr-in 2.5828 HRD-in -88.91, -46.94 72.68, 7.25 in-in-in SNCiii in-in ActLoopNT-in 2.8344 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.54, 142.96 APE9-dihe-in -128.46, 161.87 APE8-dihe-in -67.39, 90.98 APE8-rot-na 332.91 APE67-dihe-in -62.36, -25.51 -37.57, -50.75 APE12-dist-na 15.2356 APE11-dist-na 10.4431 APE10-dist-na 13.0857 APE9-dist-in 7.3216 H396P None None XRAY 1.91 0.207 0.239 A 287.0 287.0 0 29 29 0 [[242, 495]] 1.0 2f4j 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 4ZOGA P00519 233 501 1130.0 VX6:601 Type1 Inactive DFGinter 9.0345 8.1883 None -67.97, 132.1 -127.82, 25.62 -66.74, -66.47 163.98, 49.73 -79.37, 45.35 out-out out 10.9745 Saltbr-out 6.7673 HRD-out -91.32, 151.74 -125.52, 16.46 out-out-in SNCooi out-in ActLoopNT-out 5.5021 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -110.42, 138.31 APE9-dihe-in -118.45, 160.42 APE8-dihe-in -78.39, 96.94 APE8-rot-na 30.14 APE67-dihe-in -71.46, -10.56 -52.82, -45.85 APE12-dist-na 19.8085 APE11-dist-na 15.163 APE10-dist-na 17.4227 APE9-dist-in 7.1442 None None None XRAY 2.3 0.187 0.233 A 283.0 269.0 0 29 29 0 [[242, 495]] 1.0 4zog Homo sapiens TYR_ABL1_HUMAN TYR 2.6e-100 341.0 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 4ZOGB P00519 234 503 1130.0 VX6:601 Type1 Inactive DFGout 11.7889 11.8279 None -72.45, 126.77 -115.82, 44.9 -59.71, -111.34 30.08, 49.18 -63.43, 48.35 in-in in 8.8801 Saltbr-in 3.108 HRD-in -92.87, -52.54 77.42, -2.86 in-out-in SNCioi out-in ActLoopNT-out 5.5005 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -108.26, 120.92 APE9-dihe-in -100.0, 141.29 APE8-dihe-in -74.27, 97.66 APE8-rot-na 25.54 APE67-dihe-in -72.2, -10.54 -59.59, -40.07 APE12-dist-na 17.8557 APE11-dist-na 13.8579 APE10-dist-na 16.2066 APE9-dist-in 6.9896 None None None XRAY 2.3 0.187 0.233 B 283.0 268.0 2 29 27 2 [[242, 495]] 1.0 4zog Homo sapiens TYR_ABL1_HUMAN TYR 2.6e-100 341.0 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 ABL2 ABL2_HUMAN 2XYNA P42684 280 545 1182.0 VX6:547 Type1 None DFGin 6.7261 13.6649 BLAminus -141.99, -170.21 61.28, 77.47 -101.93, 23.58 303.32, 105.26 -52.42, -36.84 in-none in 8.1058 Saltbr-none 999.0 HRD-in -82.56, -45.09 67.49, 2.25 none-in-in SNCnii in-in ActLoopNT-in 2.8482 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -121.06, 130.57 APE9-dihe-in -121.58, 155.8 APE8-dihe-in -71.6, 101.71 APE8-rot-na 8.43 APE67-dihe-in -61.12, -28.03 -60.11, -40.42 APE12-dist-na 15.1229 APE11-dist-na 10.4578 APE10-dist-na 12.9615 APE9-dist-in 7.277 None None None XRAY 2.81 0.248 0.284 A 292.0 264.0 2 29 29 0 [[288, 541]] 1.0 2xyn Homo sapiens TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
TYR ABL2 ABL2_HUMAN 2XYNB P42684 280 545 1182.0 VX6:547,VX6:548,VX6:549 Type1,Allosteric,Allosteric None DFGin 6.7874 14.1937 BLAminus -138.52, -171.96 62.0, 76.57 -98.4, 37.01 307.54, 93.03 -56.63, -28.99 in-none in 7.8076 Saltbr-none 999.0 HRD-in -81.21, -46.34 70.67, 2.12 none-in-in SNCnii in-in ActLoopNT-in 2.9156 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -121.55, 131.03 APE9-dihe-in -120.39, 161.06 APE8-dihe-in -76.17, 99.71 APE8-rot-na 7.55 APE67-dihe-in -60.42, -29.93 -57.47, -41.84 APE12-dist-na 15.2497 APE11-dist-na 10.5378 APE10-dist-na 13.0049 APE9-dist-in 7.2355 None None None XRAY 2.81 0.248 0.284 B 292.0 264.0 2 29 29 0 [[288, 541]] 1.0 2xyn Homo sapiens TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
TYR ABL2 ABL2_HUMAN 2XYNC P42684 281 544 1182.0 VX6:547,VX6:548,VX6:549 Type1,Allosteric,Allosteric None DFGin 6.5211 13.6353 BLAminus -141.45, -177.42 57.6, 72.0 -90.09, 30.83 307.64, 101.04 -59.75, -48.16 in-none in 8.5826 Saltbr-none 999.0 HRD-in -84.39, -43.51 69.55, 0.12 none-in-in SNCnii in-in ActLoopNT-in 2.8247 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -120.88, 131.51 APE9-dihe-in -121.6, 159.94 APE8-dihe-in -76.78, 100.51 APE8-rot-na 6.7 APE67-dihe-in -59.8, -28.69 -55.61, -43.88 APE12-dist-na 14.8175 APE11-dist-na 10.133 APE10-dist-na 12.4878 APE9-dist-in 7.2426 None None None XRAY 2.81 0.248 0.284 C 292.0 262.0 2 29 29 0 [[288, 541]] 1.0 2xyn Homo sapiens TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
TYR DDR1 DDR1_HUMAN 6BRJA Q08345 605 913 913.0 VX6:60901 Type1 Inactive DFGinter 9.8419 6.4441 None -75.98, 130.59 -108.73, 22.4 -131.46, 172.46 67.8, 95.77 -125.27, 159.76 in-in in 8.6073 Saltbr-in 2.4755 HRD-in -69.59, -46.48 76.5, -9.43 in-out-in SNCioi out-in ActLoopNT-out 18.1621 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.43, 114.86 APE9-dihe-in -119.04, 131.61 APE8-dihe-in -82.29, 70.03 APE8-rot-na 39.02 APE67-dihe-in -70.78, -15.74 -55.16, -32.48 APE12-dist-na 18.2372 APE11-dist-na 14.8492 APE10-dist-na 11.0836 APE9-dist-in 7.3649 None None None XRAY 2.231 0.189 0.223 A 351.0 274.0 35 30 30 0 [[610, 907]] 1.0 6brj Homo sapiens TYR_DDR1_HUMAN TYR 2.3e-92 315.0 1.0 260.0 260.0 783 784 785 787 789 655 672 676 763 765 764 766.0 825 813 808 807 806 805 804 803 802 702 Epithelial discoidin domain-containing receptor 1
TKL RIPK4 RIPK4_MOUSE 5WNMA Q9ERK0 10 289 786.0 VX6:402 Type1 Inactive DFGin 5.3185 15.0189 BLAminus -138.47, -173.35 66.95, 80.24 -100.95, 14.98 287.3, 82.71 -66.01, -27.94 in-in in 8.8631 Saltbr-in 3.1229 HRD-in -74.82, -52.55 67.3, 1.99 in-in-out SNCiio in-out ActLoopNT-in 3.169 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, -172.61 APE9-dihe-na -73.45, -0.59 APE8-dihe-out -73.9, -0.77 APE8-rot-out 64.59 APE67-dihe-in -62.49, -30.21 -58.8, -36.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.1623 APE9-dist-out 12.2754 D143N None None XRAY 2.6 0.23 0.264 A 342.0 263.0 17 31 16 15 [[19, 285]] 1.0 5wnm Mus musculus TKL_RIPK4_MOUSE TKL 1.4e-74 257.0 4.0 266.0 263.0 160 161 162 164 166 51 69 73 140 142 141 143.0 205 191 186 185 184 183 182 181 180 97 Receptor-interacting serine/threonine-protein kinase 4
CAMK AURKBA AUKBA_XENLA 4B8MA Q6DE08 87 357 361.0 VX6:1359 Type1 Inactive DFGin 5.4741 15.7742 ABAminus -107.28, -33.64 -117.85, 130.37 -121.34, 30.36 281.58, 83.31 -63.32, -28.71 out-out out 10.5871 Saltbr-out 6.0497 HRD-in -78.01, -57.17 76.89, 5.94 out-in-in SNCoii in-in ActLoopNT-in 2.9852 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.01, 165.76 APE9-dihe-na 112.26, -138.97 APE8-dihe-in -136.32, 135.05 APE8-rot-in 307.84 APE67-dihe-in -64.19, -18.21 -36.05, -60.56 APE12-dist-in 8.192 APE11-dist-in 10.95 APE10-dist-in 5.3426 APE9-dist-in 3.5171 None TPO248 TPO248 XRAY 1.85 0.193 0.236 A 286.0 271.0 0 26 26 0 [[93, 343]] 1.0 4b8m Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.6e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A
CAMK AURKBA AUKBA_XENLA 4B8MB Q6DE08 78 357 361.0 VX6:1359 Type1 Inactive DFGin 5.7527 15.8744 ABAminus -107.1, -42.62 -111.3, 118.7 -113.47, 25.97 282.13, 80.51 -60.76, -22.0 out-out out 10.6327 Saltbr-out 5.4087 HRD-in -78.11, -51.63 73.89, 2.84 out-in-in SNCoii in-in ActLoopNT-in 2.9301 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.93, 168.47 APE9-dihe-na 121.34, -152.05 APE8-dihe-in -136.52, 138.0 APE8-rot-in 305.16 APE67-dihe-in -64.39, -18.52 -45.42, -55.73 APE12-dist-in 7.9572 APE11-dist-in 10.8527 APE10-dist-in 5.2667 APE9-dist-in 3.4836 None TPO248 TPO248 XRAY 1.85 0.193 0.236 B 286.0 280.0 0 26 26 0 [[93, 343]] 1.0 4b8m Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.6e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A

Ligand: VX6 (Tozasertib)

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 66.7% 4B8MA
DFGin BLAminus 1 33.3% 5WNMA
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
TKL RIPK4 RIPK4_MOUSE 5WNMA Q9ERK0 10 289 786.0 VX6:402 Type1 Inactive DFGin 5.3185 15.0189 BLAminus -138.47, -173.35 66.95, 80.24 -100.95, 14.98 287.3, 82.71 -66.01, -27.94 in-in in 8.8631 Saltbr-in 3.1229 HRD-in -74.82, -52.55 67.3, 1.99 in-in-out SNCiio in-out ActLoopNT-in 3.169 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, -172.61 APE9-dihe-na -73.45, -0.59 APE8-dihe-out -73.9, -0.77 APE8-rot-out 64.59 APE67-dihe-in -62.49, -30.21 -58.8, -36.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.1623 APE9-dist-out 12.2754 D143N None None XRAY 2.6 0.23 0.264 A 342.0 263.0 17 31 16 15 [[19, 285]] 1.0 5wnm Mus musculus TKL_RIPK4_MOUSE TKL 1.4e-74 257.0 4.0 266.0 263.0 160 161 162 164 166 51 69 73 140 142 141 143.0 205 191 186 185 184 183 182 181 180 97 Receptor-interacting serine/threonine-protein kinase 4
CAMK AURKBA AUKBA_XENLA 4B8MA Q6DE08 87 357 361.0 VX6:1359 Type1 Inactive DFGin 5.4741 15.7742 ABAminus -107.28, -33.64 -117.85, 130.37 -121.34, 30.36 281.58, 83.31 -63.32, -28.71 out-out out 10.5871 Saltbr-out 6.0497 HRD-in -78.01, -57.17 76.89, 5.94 out-in-in SNCoii in-in ActLoopNT-in 2.9852 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.01, 165.76 APE9-dihe-na 112.26, -138.97 APE8-dihe-in -136.32, 135.05 APE8-rot-in 307.84 APE67-dihe-in -64.19, -18.21 -36.05, -60.56 APE12-dist-in 8.192 APE11-dist-in 10.95 APE10-dist-in 5.3426 APE9-dist-in 3.5171 None TPO248 TPO248 XRAY 1.85 0.193 0.236 A 286.0 271.0 0 26 26 0 [[93, 343]] 1.0 4b8m Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.6e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A
CAMK AURKBA AUKBA_XENLA 4B8MB Q6DE08 78 357 361.0 VX6:1359 Type1 Inactive DFGin 5.7527 15.8744 ABAminus -107.1, -42.62 -111.3, 118.7 -113.47, 25.97 282.13, 80.51 -60.76, -22.0 out-out out 10.6327 Saltbr-out 5.4087 HRD-in -78.11, -51.63 73.89, 2.84 out-in-in SNCoii in-in ActLoopNT-in 2.9301 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.93, 168.47 APE9-dihe-na 121.34, -152.05 APE8-dihe-in -136.52, 138.0 APE8-rot-in 305.16 APE67-dihe-in -64.39, -18.52 -45.42, -55.73 APE12-dist-in 7.9572 APE11-dist-in 10.8527 APE10-dist-in 5.2667 APE9-dist-in 3.4836 None TPO248 TPO248 XRAY 1.85 0.193 0.236 B 286.0 280.0 0 26 26 0 [[93, 343]] 1.0 4b8m Xenopus laevis CAMK_AURKBA_XENLA CAMK 2.6e-77 265.6 1.0 256.0 256.0 233 234 235 237 239 122 141 145 213 215 214 216.0 271 259 254 253 252 251 250 249 248 171 Aurora kinase B-A