Ligand: 627 (Danusertib)

Total number of chains: 10
Active chains: 4
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 50.0% 4QO9A
DFGinter None 4 40.0% 8SSOA
DFGin BLBminus 1 10.0% 5I9ZA
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
CAMK AURKA AURKA_HUMAN 8SSPA O14965 126 389 403.0 PDO:507,627:510 Allosteric,Type1 Inactive DFGin 5.827 16.097 BLAminus -128.28, -176.57 55.06, 88.12 -104.67, 28.54 279.82, 74.62 -68.31, -32.7 out-out out 10.408 Saltbr-out 5.122 HRD-in -77.88, -49.99 65.51, 20.52 out-in-in SNCoii in-in ActLoopNT-in 2.968 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -158.81, 156.13 APE9-dihe-na 124.75, -152.05 APE8-dihe-in -113.82, 146.04 APE8-rot-in 319.01 APE67-dihe-in -74.25, -9.45 -51.04, -52.82 APE12-dist-in 10.214 APE11-dist-in 11.164 APE10-dist-in 5.569 APE9-dist-in 3.598 None None None XRAY 2.6 0.202 0.257 A 284 264 0 0 0 0 [[133, 383]] 1.0 8ssp CAMK_AURKA_HUMAN CAMK 7.6e-80 273.9 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 2J50A O14965 128 389 403.0 627:1390 Type1 Inactive DFGinter 9.246 7.02 None -113.57, -10.87 -64.28, 174.0 -114.87, 30.19 305.8, 146.38 -88.31, 66.84 out-out out 12.509 Saltbr-out 9.294 HRD-out -123.95, 152.65 -81.99, -145.81 out-out-out SNCooo out-out ActLoopNT-out 5.444 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -105.31, 129.43 APE9-dihe-na 72.62, 27.27 APE8-dihe-out -102.11, -34.98 APE8-rot-in 309.79 APE67-dihe-in -58.95, -17.94 -50.8, -43.26 APE12-dist-out 19.566 APE11-dist-out 16.656 APE10-dist-out 20.802 APE9-dist-out 14.696 None None None XRAY 3.0 0.221 0.268 A 280 250 12 0 0 8 [[133, 383]] 1.0 2j50 CAMK_AURKA_HUMAN CAMK 7.2e-80 273.9 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 2J50B O14965 128 389 403.0 627:1390 Type1 Inactive DFGinter 9.246 7.02 None -113.53, -10.86 -64.28, 174.02 -114.89, 30.13 305.81, 146.41 -88.25, 66.85 out-out out 12.51 Saltbr-out 9.294 HRD-out -123.96, 152.62 -82.01, -145.78 out-out-out SNCooo out-out ActLoopNT-out 5.445 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -105.31, 129.37 APE9-dihe-na 72.63, 27.29 APE8-dihe-out -102.14, -34.97 APE8-rot-in 309.77 APE67-dihe-in -58.91, -17.97 -50.79, -43.31 APE12-dist-out 19.566 APE11-dist-out 16.656 APE10-dist-out 20.802 APE9-dist-out 14.696 None None None XRAY 3.0 0.221 0.268 B 280 250 12 0 0 8 [[133, 383]] 1.0 2j50 CAMK_AURKA_HUMAN CAMK 7.2e-80 273.9 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 8SSOA O14965 127 389 403.0 627:503 Type1 Inactive DFGinter 5.399 10.215 None -108.08, -33.36 50.1, -154.98 50.19, 34.56 301.31, 89.86 -57.19, -31.19 out-out out 12.334 Saltbr-out 8.618 HRD-out 58.03, 59.93 -81.1, 151.47 out-out-out SNCooo out-out ActLoopNT-out 16.603 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -77.17, 142.4 APE9-dihe-na -91.52, -9.13 APE8-dihe-out -58.73, -51.63 APE8-rot-in 325.37 APE67-dihe-in -60.47, -22.49 -51.35, -46.12 APE12-dist-none 999.0 APE11-dist-out 14.244 APE10-dist-out 9.697 APE9-dist-out 11.744 None None None XRAY 1.97 0.194 0.234 A 285 256 7 0 0 7 [[133, 383]] 1.0 8sso CAMK_AURKA_HUMAN CAMK 7.7e-80 273.8 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 8SSOD O14965 127 389 403.0 627:501 Type1 Inactive DFGinter 5.281 10.122 None -105.7, -31.6 53.01, -156.16 52.08, 37.65 306.05, 89.37 -57.92, -31.1 out-out out 12.291 Saltbr-out 8.476 HRD-out 56.18, 68.26 -87.55, 151.34 out-out-none SNCoon out-none ActLoopNT-out 16.733 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -51.48 APE8-rot-in 286.23 APE67-dihe-in -64.32, -21.7 -60.98, -32.62 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.97 0.194 0.234 D 285 252 11 0 0 11 [[133, 383]] 1.0 8sso CAMK_AURKA_HUMAN CAMK 7.7e-80 273.8 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
STE STK24 STK24_HUMAN 4QO9A Q9Y6E0 30 310 443.0 627:60404 Type1 Active DFGin 6.508 15.634 BLAminus -145.5, 175.68 60.13, 84.2 -107.33, 23.32 281.34, 76.41 -57.87, -35.39 in-in in 9.336 Saltbr-in 2.479 HRD-in -70.6, -52.33 73.61, -3.06 in-in-in SNCiii in-in ActLoopNT-in 2.862 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.94, 146.24 APE9-dihe-na 132.31, -160.15 APE8-dihe-in -114.11, 118.42 APE8-rot-in 312.22 APE67-dihe-in -65.87, -24.98 -39.11, -47.59 APE12-dist-in 8.271 APE11-dist-in 11.248 APE10-dist-in 5.666 APE9-dist-in 3.399 None TPO190 TPO190 XRAY 2.2 0.16 0.218 A 310 281 0 0 0 0 [[36, 286]] 1.0 4qo9 STE_STK24_HUMAN STE 3.9e-100 340.4 1 257 257 173 174 175 177 179 65 82 86 153 155 154 156 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
STE STK24 STK24_HUMAN 4QO9B Q9Y6E0 25 310 443.0 627:60404 Type1 Active DFGin 6.547 15.617 BLAminus -138.84, 179.77 59.48, 78.9 -100.64, 29.32 286.0, 72.95 -61.78, -32.25 in-in in 9.373 Saltbr-in 2.621 HRD-in -75.2, -47.86 69.0, 4.06 in-in-in SNCiii in-in ActLoopNT-in 2.707 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.46, 157.09 APE9-dihe-na 124.04, -168.3 APE8-dihe-in -112.83, 120.43 APE8-rot-in 310.9 APE67-dihe-in -63.33, -26.67 -38.4, -49.49 APE12-dist-in 8.25 APE11-dist-in 11.055 APE10-dist-in 5.256 APE9-dist-in 3.374 None TPO190 TPO190 XRAY 2.2 0.16 0.218 B 310 286 0 0 0 0 [[36, 286]] 1.0 4qo9 STE_STK24_HUMAN STE 3.9e-100 340.4 1 257 257 173 174 175 177 179 65 82 86 153 155 154 156 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
TYR ABL1 ABL1_HUMAN 2V7AA P00519 233 503 1130.0 627:1504 Type1 Active DFGin 6.894 14.16 BLAminus -145.06, -170.76 64.01, 66.73 -92.57, 17.46 295.88, 104.37 -56.64, -27.12 in-in in 7.782 Saltbr-in 2.519 HRD-in -93.72, -56.9 83.27, 8.16 in-in-in SNCiii in-in ActLoopNT-in 2.975 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.69, 132.9 APE9-dihe-in -115.95, 155.97 APE8-dihe-in -67.28, 120.19 APE8-rot-na 16.95 APE67-dihe-in -81.75, -3.2 -58.95, -43.12 APE12-dist-na 14.866 APE11-dist-na 10.223 APE10-dist-na 13.016 APE9-dist-in 6.841 T315I PTR393 PTR393 XRAY 2.5 0.209 0.246 A 286 271 0 0 0 0 [[242, 495]] 1.0 2v7a TYR_ABL1_HUMAN TYR 5.3e-100 339.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 2V7AB P00519 234 503 1130.0 627:1504 Type1 Active DFGin 6.904 13.955 BLAminus -120.25, -166.43 59.68, 67.6 -85.2, 11.1 297.73, 106.5 -52.29, -48.72 in-in in 7.535 Saltbr-in 2.696 HRD-in -95.53, -42.9 77.78, -18.98 in-in-in SNCiii in-in ActLoopNT-in 3.042 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.95, 149.39 APE9-dihe-in -131.37, 144.36 APE8-dihe-in -64.58, 88.08 APE8-rot-na 22.1 APE67-dihe-in -78.01, -10.87 -49.77, -37.43 APE12-dist-na 14.954 APE11-dist-na 10.309 APE10-dist-na 13.12 APE9-dist-in 7.359 T315I PTR393 PTR393 XRAY 2.5 0.209 0.246 B 286 270 0 0 0 0 [[242, 495]] 1.0 2v7a TYR_ABL1_HUMAN TYR 5.3e-100 339.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR EPHA2 EPHA2_HUMAN 5I9ZA P29317 604 896 976.0 627:1001 Type1 Inactive DFGin 6.395 15.025 BLBminus -135.15, -162.14 63.34, 62.38 -99.38, 153.95 296.28, 106.39 156.26, -159.7 in-in in 8.181 Saltbr-in 3.003 HRD-in -78.26, -45.75 77.15, -16.58 in-out-none SNCion out-none ActLoopNT-out 10.334 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 152.03 APE8-dihe-in -78.75, 94.25 APE8-rot-na 31.08 APE67-dihe-in -77.33, -1.49 -57.35, -48.63 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 6.695 None None None XRAY 1.698 0.162 0.2 A 306 273 20 0 0 14 [[613, 873]] 1.0 5i9z TYR_EPHA2_HUMAN TYR 5.5e-108 366.1 2 261 260 756 757 758 760 762 646 663 667 736 738 737 739 799 787 782 781 780 779 778 777 776 693 Ephrin type-A receptor 2

Ligand: 627 (Danusertib)

Total number of chains: 10
Active chains: 4
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 50.0% 4QO9A
DFGinter None 4 40.0% 8SSOA
DFGin BLBminus 1 10.0% 5I9ZA
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
CAMK AURKA AURKA_HUMAN 8SSPA O14965 126 389 403.0 PDO:507,627:510 Allosteric,Type1 Inactive DFGin 5.827 16.097 BLAminus -128.28, -176.57 55.06, 88.12 -104.67, 28.54 279.82, 74.62 -68.31, -32.7 out-out out 10.408 Saltbr-out 5.122 HRD-in -77.88, -49.99 65.51, 20.52 out-in-in SNCoii in-in ActLoopNT-in 2.968 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -158.81, 156.13 APE9-dihe-na 124.75, -152.05 APE8-dihe-in -113.82, 146.04 APE8-rot-in 319.01 APE67-dihe-in -74.25, -9.45 -51.04, -52.82 APE12-dist-in 10.214 APE11-dist-in 11.164 APE10-dist-in 5.569 APE9-dist-in 3.598 None None None XRAY 2.6 0.202 0.257 A 284 264 0 0 0 0 [[133, 383]] 1.0 8ssp Homo sapiens CAMK_AURKA_HUMAN CAMK 7.6e-80 273.9 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 2J50A O14965 128 389 403.0 627:1390 Type1 Inactive DFGinter 9.246 7.02 None -113.57, -10.87 -64.28, 174.0 -114.87, 30.19 305.8, 146.38 -88.31, 66.84 out-out out 12.509 Saltbr-out 9.294 HRD-out -123.95, 152.65 -81.99, -145.81 out-out-out SNCooo out-out ActLoopNT-out 5.444 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -105.31, 129.43 APE9-dihe-na 72.62, 27.27 APE8-dihe-out -102.11, -34.98 APE8-rot-in 309.79 APE67-dihe-in -58.95, -17.94 -50.8, -43.26 APE12-dist-out 19.566 APE11-dist-out 16.656 APE10-dist-out 20.802 APE9-dist-out 14.696 None None None XRAY 3.0 0.221 0.268 A 280 250 12 0 0 8 [[133, 383]] 1.0 2j50 Homo sapiens CAMK_AURKA_HUMAN CAMK 7.2e-80 273.9 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 2J50B O14965 128 389 403.0 627:1390 Type1 Inactive DFGinter 9.246 7.02 None -113.53, -10.86 -64.28, 174.02 -114.89, 30.13 305.81, 146.41 -88.25, 66.85 out-out out 12.51 Saltbr-out 9.294 HRD-out -123.96, 152.62 -82.01, -145.78 out-out-out SNCooo out-out ActLoopNT-out 5.445 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -105.31, 129.37 APE9-dihe-na 72.63, 27.29 APE8-dihe-out -102.14, -34.97 APE8-rot-in 309.77 APE67-dihe-in -58.91, -17.97 -50.79, -43.31 APE12-dist-out 19.566 APE11-dist-out 16.656 APE10-dist-out 20.802 APE9-dist-out 14.696 None None None XRAY 3.0 0.221 0.268 B 280 250 12 0 0 8 [[133, 383]] 1.0 2j50 Homo sapiens CAMK_AURKA_HUMAN CAMK 7.2e-80 273.9 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 8SSOA O14965 127 389 403.0 627:503 Type1 Inactive DFGinter 5.399 10.215 None -108.08, -33.36 50.1, -154.98 50.19, 34.56 301.31, 89.86 -57.19, -31.19 out-out out 12.334 Saltbr-out 8.618 HRD-out 58.03, 59.93 -81.1, 151.47 out-out-out SNCooo out-out ActLoopNT-out 16.603 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -77.17, 142.4 APE9-dihe-na -91.52, -9.13 APE8-dihe-out -58.73, -51.63 APE8-rot-in 325.37 APE67-dihe-in -60.47, -22.49 -51.35, -46.12 APE12-dist-none 999.0 APE11-dist-out 14.244 APE10-dist-out 9.697 APE9-dist-out 11.744 None None None XRAY 1.97 0.194 0.234 A 285 256 7 0 0 7 [[133, 383]] 1.0 8sso Homo sapiens CAMK_AURKA_HUMAN CAMK 7.7e-80 273.8 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
CAMK AURKA AURKA_HUMAN 8SSOD O14965 127 389 403.0 627:501 Type1 Inactive DFGinter 5.281 10.122 None -105.7, -31.6 53.01, -156.16 52.08, 37.65 306.05, 89.37 -57.92, -31.1 out-out out 12.291 Saltbr-out 8.476 HRD-out 56.18, 68.26 -87.55, 151.34 out-out-none SNCoon out-none ActLoopNT-out 16.733 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -51.48 APE8-rot-in 286.23 APE67-dihe-in -64.32, -21.7 -60.98, -32.62 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.97 0.194 0.234 D 285 252 11 0 0 11 [[133, 383]] 1.0 8sso Homo sapiens CAMK_AURKA_HUMAN CAMK 7.7e-80 273.8 1 256 256 273 274 275 277 279 162 181 185 253 255 254 256 311 299 294 293 292 291 290 289 288 211 Aurora kinase A
STE STK24 STK24_HUMAN 4QO9A Q9Y6E0 30 310 443.0 627:60404 Type1 Active DFGin 6.508 15.634 BLAminus -145.5, 175.68 60.13, 84.2 -107.33, 23.32 281.34, 76.41 -57.87, -35.39 in-in in 9.336 Saltbr-in 2.479 HRD-in -70.6, -52.33 73.61, -3.06 in-in-in SNCiii in-in ActLoopNT-in 2.862 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.94, 146.24 APE9-dihe-na 132.31, -160.15 APE8-dihe-in -114.11, 118.42 APE8-rot-in 312.22 APE67-dihe-in -65.87, -24.98 -39.11, -47.59 APE12-dist-in 8.271 APE11-dist-in 11.248 APE10-dist-in 5.666 APE9-dist-in 3.399 None TPO190 TPO190 XRAY 2.2 0.16 0.218 A 310 281 0 0 0 0 [[36, 286]] 1.0 4qo9 Homo sapiens STE_STK24_HUMAN STE 3.9e-100 340.4 1 257 257 173 174 175 177 179 65 82 86 153 155 154 156 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
STE STK24 STK24_HUMAN 4QO9B Q9Y6E0 25 310 443.0 627:60404 Type1 Active DFGin 6.547 15.617 BLAminus -138.84, 179.77 59.48, 78.9 -100.64, 29.32 286.0, 72.95 -61.78, -32.25 in-in in 9.373 Saltbr-in 2.621 HRD-in -75.2, -47.86 69.0, 4.06 in-in-in SNCiii in-in ActLoopNT-in 2.707 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.46, 157.09 APE9-dihe-na 124.04, -168.3 APE8-dihe-in -112.83, 120.43 APE8-rot-in 310.9 APE67-dihe-in -63.33, -26.67 -38.4, -49.49 APE12-dist-in 8.25 APE11-dist-in 11.055 APE10-dist-in 5.256 APE9-dist-in 3.374 None TPO190 TPO190 XRAY 2.2 0.16 0.218 B 310 286 0 0 0 0 [[36, 286]] 1.0 4qo9 Homo sapiens STE_STK24_HUMAN STE 3.9e-100 340.4 1 257 257 173 174 175 177 179 65 82 86 153 155 154 156 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
TYR ABL1 ABL1_HUMAN 2V7AA P00519 233 503 1130.0 627:1504 Type1 Active DFGin 6.894 14.16 BLAminus -145.06, -170.76 64.01, 66.73 -92.57, 17.46 295.88, 104.37 -56.64, -27.12 in-in in 7.782 Saltbr-in 2.519 HRD-in -93.72, -56.9 83.27, 8.16 in-in-in SNCiii in-in ActLoopNT-in 2.975 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -123.69, 132.9 APE9-dihe-in -115.95, 155.97 APE8-dihe-in -67.28, 120.19 APE8-rot-na 16.95 APE67-dihe-in -81.75, -3.2 -58.95, -43.12 APE12-dist-na 14.866 APE11-dist-na 10.223 APE10-dist-na 13.016 APE9-dist-in 6.841 T315I PTR393 PTR393 XRAY 2.5 0.209 0.246 A 286 271 0 0 0 0 [[242, 495]] 1.0 2v7a Homo sapiens TYR_ABL1_HUMAN TYR 5.3e-100 339.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 2V7AB P00519 234 503 1130.0 627:1504 Type1 Active DFGin 6.904 13.955 BLAminus -120.25, -166.43 59.68, 67.6 -85.2, 11.1 297.73, 106.5 -52.29, -48.72 in-in in 7.535 Saltbr-in 2.696 HRD-in -95.53, -42.9 77.78, -18.98 in-in-in SNCiii in-in ActLoopNT-in 3.042 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.95, 149.39 APE9-dihe-in -131.37, 144.36 APE8-dihe-in -64.58, 88.08 APE8-rot-na 22.1 APE67-dihe-in -78.01, -10.87 -49.77, -37.43 APE12-dist-na 14.954 APE11-dist-na 10.309 APE10-dist-na 13.12 APE9-dist-in 7.359 T315I PTR393 PTR393 XRAY 2.5 0.209 0.246 B 286 270 0 0 0 0 [[242, 495]] 1.0 2v7a Homo sapiens TYR_ABL1_HUMAN TYR 5.3e-100 339.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR EPHA2 EPHA2_HUMAN 5I9ZA P29317 604 896 976.0 627:1001 Type1 Inactive DFGin 6.395 15.025 BLBminus -135.15, -162.14 63.34, 62.38 -99.38, 153.95 296.28, 106.39 156.26, -159.7 in-in in 8.181 Saltbr-in 3.003 HRD-in -78.26, -45.75 77.15, -16.58 in-out-none SNCion out-none ActLoopNT-out 10.334 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 152.03 APE8-dihe-in -78.75, 94.25 APE8-rot-na 31.08 APE67-dihe-in -77.33, -1.49 -57.35, -48.63 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 6.695 None None None XRAY 1.698 0.162 0.2 A 306 273 20 0 0 14 [[613, 873]] 1.0 5i9z Homo sapiens TYR_EPHA2_HUMAN TYR 5.5e-108 366.1 2 261 260 756 757 758 760 762 646 663 667 736 738 737 739 799 787 782 781 780 779 778 777 776 693 Ephrin type-A receptor 2

Ligand: 627 (Danusertib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains - renumbered by
Uniprot PDB Alignment

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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