TYR_TNK2 (Activated CDC42 kinase 1)

Total number of chains: 32
Active chains: 6
Family: TYR
Uniprot: ACK1_HUMAN
Kinase Domain Residues: 126 - 387
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 16 50.0% 4EWHA
DFGin BLAminus 9 28.1% AF-Q07912-K1A
DFGin BLBplus 4 12.5% 4HZSA
DFGout None 2 6.2% 5ZXBB
DFGin None 1 3.1% 8HMTD

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PDB 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
1U54B 117 388 1038.0 ACP:400 ATPlike Active DFGin 6.615 13.378 BLAminus -120.4, -155.16 27.84, 85.75 -104.36, 38.7 310.01, 93.15 -67.71, -28.73 in-in in 7.966 Saltbr-in 3.021 HRD-in -109.84, -42.56 64.6, 13.11 in-in-in SNCiii in-in ActLoopNT-in 3.014 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -150.8, 133.1 APE9-dihe-in -126.86, 129.0 APE8-dihe-in -43.1, 130.27 APE8-rot-na 329.12 APE67-dihe-in -70.13, -6.6 -62.78, -39.45 APE12-dist-na 12.662 APE11-dist-na 7.646 APE10-dist-na 11.0 APE9-dist-in 5.878 None None None XRAY 2.8 0.226 0.322 B 291 261 11 0 0 0 [[126, 387]] 1.0 1u54 TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
AF-Q07912-K1A 118 395 1038.0 No_ligand No_ligand Active DFGin 6.402 13.809 BLAminus -127.81, -172.26 52.98, 78.87 -92.01, 15.18 300.66, 98.99 -61.2, -28.6 in-in in 9.068 Saltbr-in 2.884 HRD-in -71.74, -46.77 66.75, -6.3 in-in-in SNCiii in-in ActLoopNT-in 2.883 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -64.08, 137.58 APE9-dihe-in -124.59, 150.42 APE8-dihe-in -74.79, 77.42 APE8-rot-na 33.67 APE67-dihe-in -72.2, -16.05 -54.65, -32.93 APE12-dist-na 14.225 APE11-dist-na 8.173 APE10-dist-na 10.488 APE9-dist-in 6.215 None None None AF2 -1.0 1.0 1.0 A 278 278 0 0 0 0 [[126, 387]] 1.0 AF-Q07912-K1 TYR_TNK2_HUMAN TYR 7.6e-86 293.5 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
AF-Q07912-K3A 118 395 1038.0 No_ligand No_ligand Active DFGin 6.282 13.816 BLAminus -132.02, -165.66 49.79, 76.66 -89.46, 13.86 302.75, 106.95 -62.78, -25.76 in-in in 9.153 Saltbr-in 2.829 HRD-in -75.54, -47.15 65.26, -2.61 in-in-in SNCiii in-in ActLoopNT-in 2.894 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -68.1, 134.59 APE9-dihe-in -125.28, 155.36 APE8-dihe-in -74.53, 75.69 APE8-rot-na 36.27 APE67-dihe-in -72.66, -16.99 -53.38, -31.64 APE12-dist-na 13.715 APE11-dist-na 7.749 APE10-dist-na 10.02 APE9-dist-in 5.715 None None None AF2 -1.0 1.0 1.0 A 278 278 0 0 0 0 [[126, 387]] 1.0 AF-Q07912-K3 TYR_TNK2_HUMAN TYR 7.6e-86 293.5 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
1U46B 117 390 1038.0 No_ligand No_ligand Active DFGin 6.893 13.327 BLAminus -106.75, -162.4 39.69, 86.16 -96.94, 26.22 299.15, 109.43 -73.67, -16.41 in-in in 8.181 Saltbr-in 2.589 HRD-in -73.19, -48.75 76.75, -0.65 in-in-in SNCiii in-in ActLoopNT-in 2.921 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -148.81, 131.4 APE9-dihe-in -119.81, 131.46 APE8-dihe-in -52.5, 137.43 APE8-rot-na 348.53 APE67-dihe-in -65.13, -16.63 -61.62, -36.89 APE12-dist-na 12.238 APE11-dist-na 7.191 APE10-dist-na 10.215 APE9-dist-in 5.643 None None None XRAY 2.0 0.202 0.249 B 291 257 17 0 0 0 [[126, 387]] 1.0 1u46 TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
6VQMB 117 392 1038.0 R7P:401 Type1 Active DFGin 6.587 13.594 BLAminus -126.29, -176.9 60.12, 78.79 -101.99, 43.61 309.18, 96.93 -70.48, -42.01 in-in in 8.354 Saltbr-in 2.79 HRD-in -70.81, -44.97 67.08, 13.61 in-in-in SNCiii in-in ActLoopNT-in 3.034 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.03, 107.88 APE9-dihe-in -69.66, 138.93 APE8-dihe-in -77.17, 95.23 APE8-rot-na 27.59 APE67-dihe-in -70.22, -21.82 -51.53, -42.79 APE12-dist-na 12.263 APE11-dist-na 8.421 APE10-dist-na 12.201 APE9-dist-in 7.191 None None None XRAY 2.87 0.273 0.33 B 289 267 9 0 0 0 [[126, 387]] 1.0 6vqm TYR_TNK2_HUMAN TYR 8.8e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
1U4DB 117 390 1038.0 DBQ:401 Type1 Active DFGin 6.743 13.286 BLAminus -120.44, -165.36 55.02, 77.38 -96.18, 18.83 299.22, 128.21 -61.51, -28.63 in-in in 8.506 Saltbr-in 3.09 HRD-in -78.19, -51.48 79.02, -2.19 in-in-in SNCiii in-in ActLoopNT-in 2.94 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -138.79, 137.8 APE9-dihe-in -124.54, 129.71 APE8-dihe-in -55.28, 140.91 APE8-rot-na 333.19 APE67-dihe-in -67.74, -15.49 -65.28, -34.43 APE12-dist-na 12.306 APE11-dist-na 7.19 APE10-dist-na 10.394 APE9-dist-in 5.748 None None None XRAY 2.1 0.205 0.248 B 291 262 12 0 0 0 [[126, 387]] 1.0 1u4d TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
1U54A 115 390 1038.0 ACP:101 ATPlike Inactive DFGin 6.381 13.426 ABAminus -129.39, -12.11 -146.47, 102.96 -102.84, 23.33 304.65, 105.91 -57.05, -37.37 in-in in 7.864 Saltbr-in 2.624 HRD-in -77.15, -49.8 83.51, -10.59 in-in-none SNCiin in-none ActLoopNT-in 2.835 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 126.54 APE8-dihe-in -75.47, 123.76 APE8-rot-na 349.96 APE67-dihe-in -43.9, -19.78 -62.08, -52.54 APE12-dist-na 11.808 APE11-dist-na 8.141 APE10-dist-na 999.0 APE9-dist-in 6.063 None PTR284 PTR284 XRAY 2.8 0.226 0.322 A 291 263 13 0 0 1 [[126, 387]] 1.0 1u54 TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4HZRA 117 389 1038.0 No_ligand No_ligand Inactive DFGin 6.941 13.337 ABAminus -116.61, 0.1 -140.48, 143.47 -137.83, 29.0 303.1, 95.78 -63.74, -22.82 in-in in 8.671 Saltbr-in 3.014 HRD-in -78.97, -45.99 73.0, 0.05 in-in-in SNCiii in-in ActLoopNT-in 2.852 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -137.45, 121.81 APE9-dihe-in -117.27, 126.54 APE8-dihe-in -48.18, 134.62 APE8-rot-na 331.8 APE67-dihe-in -67.06, -18.13 -62.19, -35.06 APE12-dist-na 12.221 APE11-dist-na 7.476 APE10-dist-na 10.368 APE9-dist-in 5.64 None None None XRAY 1.31 0.197 0.209 A 277 261 12 0 0 0 [[126, 387]] 1.0 4hzr TYR_TNK2_HUMAN TYR 7.5e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4HZRB 118 389 1038.0 No_ligand No_ligand Inactive DFGin 6.926 13.203 ABAminus -114.0, -2.21 -142.3, 141.19 -136.9, 28.97 303.67, 94.73 -65.41, -14.9 in-in in 8.32 Saltbr-in 2.784 HRD-in -81.57, -44.88 71.99, 1.77 in-in-in SNCiii in-in ActLoopNT-in 2.878 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.7, 123.01 APE9-dihe-in -130.03, 154.84 APE8-dihe-in -57.54, 124.6 APE8-rot-na 334.8 APE67-dihe-in -72.23, -12.85 -67.01, -33.63 APE12-dist-na 13.405 APE11-dist-na 8.572 APE10-dist-na 12.141 APE9-dist-in 6.958 None None None XRAY 1.31 0.197 0.209 B 277 258 14 0 0 0 [[126, 387]] 1.0 4hzr TYR_TNK2_HUMAN TYR 7.5e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
1U46A 117 389 1038.0 No_ligand No_ligand Inactive DFGin 6.677 13.606 ABAminus -105.04, -15.76 -135.27, 148.5 -140.73, 24.35 300.72, 95.61 -66.87, -16.87 in-in in 8.88 Saltbr-in 3.042 HRD-in -74.47, -45.94 65.29, 8.06 in-in-none SNCiin in-none ActLoopNT-in 3.08 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 148.6 APE8-dihe-in -40.6, 125.73 APE8-rot-na 326.91 APE67-dihe-in -63.61, -22.03 -68.77, -33.68 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 5.487 None None None XRAY 2.0 0.202 0.249 A 291 255 18 0 0 6 [[126, 387]] 1.0 1u46 TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4EWHA 117 391 1038.0 T77:401 Type1 Inactive DFGin 6.897 13.758 ABAminus -112.33, -10.32 -127.98, 158.61 -163.96, 19.15 297.07, 109.95 -51.93, -22.07 in-in in 8.363 Saltbr-in 2.841 HRD-in -80.55, -48.4 69.82, -0.05 in-in-in SNCiii in-in ActLoopNT-in 2.784 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.82, 134.34 APE9-dihe-in -105.63, 146.75 APE8-dihe-in -58.9, 128.31 APE8-rot-na 332.95 APE67-dihe-in -67.17, -17.01 -59.23, -34.05 APE12-dist-na 12.371 APE11-dist-na 7.33 APE10-dist-na 11.496 APE9-dist-in 5.965 None PTR284 PTR284 XRAY 2.5 0.259 0.313 A 275 275 0 0 0 0 [[126, 387]] 1.0 4ewh TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4EWHB 117 390 1038.0 T77:401 Type1 Inactive DFGin 6.814 13.781 ABAminus -113.99, 0.05 -132.38, 146.39 -142.78, 20.76 303.22, 103.13 -48.09, -26.49 in-in in 8.335 Saltbr-in 2.677 HRD-in -88.91, -43.41 72.85, -2.08 in-in-in SNCiii in-in ActLoopNT-in 2.803 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -105.83, 138.68 APE9-dihe-in -104.08, 148.64 APE8-dihe-in -58.72, 120.66 APE8-rot-na 340.66 APE67-dihe-in -66.41, -17.16 -49.99, -36.4 APE12-dist-na 12.424 APE11-dist-na 7.355 APE10-dist-na 11.541 APE9-dist-in 5.922 None PTR284 PTR284 XRAY 2.5 0.259 0.313 B 275 274 0 0 0 0 [[126, 387]] 1.0 4ewh TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
7KP6A 117 391 1038.0 WTP:401 Type1 Inactive DFGin 6.987 13.074 ABAminus -120.5, 2.81 -142.4, 134.01 -133.76, 28.84 306.02, 91.7 -68.06, -13.37 in-out in 8.711 Saltbr-out 4.439 HRD-in -78.88, -45.58 72.69, 3.73 out-in-in SNCoii in-in ActLoopNT-in 2.814 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -141.02, 134.34 APE9-dihe-in -120.0, 134.77 APE8-dihe-in -57.68, 136.22 APE8-rot-na 336.49 APE67-dihe-in -65.99, -13.55 -58.92, -37.48 APE12-dist-na 12.273 APE11-dist-na 7.282 APE10-dist-na 10.479 APE9-dist-in 5.598 None None None XRAY 1.79 0.179 0.203 A 287 268 7 0 0 0 [[126, 387]] 1.0 7kp6 TYR_TNK2_HUMAN TYR 8.6e-86 293.4 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
7KP6B 117 391 1038.0 WTP:401 Type1 Inactive DFGin 6.971 13.41 ABAminus -118.46, 0.28 -140.74, 140.65 -134.73, 29.67 302.28, 95.76 -64.4, -24.8 in-in in 8.466 Saltbr-in 2.483 HRD-in -80.63, -45.48 68.06, 5.55 in-in-none SNCiin in-none ActLoopNT-in 2.891 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 149.74 APE9-dihe-in -131.88, 157.91 APE8-dihe-in -71.95, 81.45 APE8-rot-na 27.93 APE67-dihe-in -74.26, -9.58 -63.95, -29.15 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.433 APE9-dist-in 6.546 None None None XRAY 1.79 0.179 0.203 B 287 265 10 0 0 4 [[126, 387]] 1.0 7kp6 TYR_TNK2_HUMAN TYR 8.6e-86 293.4 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
6VQMA 117 390 1038.0 R7P:401 Type1 Inactive DFGin 6.168 13.464 ABAminus -107.72, -37.34 -107.23, 139.71 -135.32, 26.09 306.21, 97.86 -71.9, -43.92 in-in in 8.577 Saltbr-in 2.571 HRD-in -71.98, -51.6 65.1, 16.99 in-in-in SNCiii in-in ActLoopNT-in 2.996 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -78.12, 107.17 APE9-dihe-in -75.55, 154.5 APE8-dihe-in -75.48, 79.2 APE8-rot-na 33.66 APE67-dihe-in -66.81, -24.97 -59.46, -37.23 APE12-dist-na 13.543 APE11-dist-na 8.287 APE10-dist-na 10.844 APE9-dist-in 6.573 None None None XRAY 2.87 0.273 0.33 A 289 267 7 0 0 0 [[126, 387]] 1.0 6vqm TYR_TNK2_HUMAN TYR 8.8e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
8FE9A 117 390 1038.0 WTP:401 Type1 Inactive DFGin 7.37 13.018 ABAminus -105.28, -25.45 -117.67, 141.58 -139.74, 24.77 304.61, 88.92 -62.34, -21.69 in-in in 9.179 Saltbr-in 3.598 HRD-in -80.64, -42.58 70.6, 2.92 in-in-in SNCiii in-in ActLoopNT-in 2.919 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.63, 116.01 APE9-dihe-in -111.81, 145.17 APE8-dihe-in -57.08, 126.3 APE8-rot-na 336.42 APE67-dihe-in -51.19, -45.24 -69.67, -25.96 APE12-dist-na 13.251 APE11-dist-na 7.955 APE10-dist-na 11.971 APE9-dist-in 6.328 K161Q None None XRAY 3.2 0.192 0.228 A 287 274 0 0 0 0 [[126, 387]] 1.0 8fe9 TYR_TNK2_HUMAN TYR 1.7e-85 292.4 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4ID7A 117 389 1038.0 1G0:401 Type1.5_Back Inactive DFGin 7.3 14.149 ABAminus -100.89, -41.99 -119.98, 142.93 -136.82, 28.94 304.41, 92.31 -64.16, -28.63 out-out out 10.594 Saltbr-out 5.173 HRD-in -73.52, -37.85 67.07, 1.92 out-in-in SNCoii in-in ActLoopNT-in 2.78 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -94.45, 115.86 APE9-dihe-in -72.04, 137.46 APE8-dihe-in -82.5, 104.34 APE8-rot-na 27.83 APE67-dihe-in -58.7, -32.88 -52.23, -52.86 APE12-dist-na 13.371 APE11-dist-na 8.528 APE10-dist-na 10.996 APE9-dist-in 6.893 None None None XRAY 3.0 0.213 0.259 A 273 268 5 0 0 0 [[126, 387]] 1.0 4id7 TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
8HMTA 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.473 13.951 ABAminus -118.49, 19.83 -162.39, 140.84 -133.87, 20.8 306.3, 104.45 -62.09, -37.78 in-out in 9.042 Saltbr-out 3.701 HRD-in -83.9, -47.14 69.67, 4.35 out-in-in SNCoii in-in ActLoopNT-in 3.198 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -131.87, 119.25 APE9-dihe-in -119.04, 129.31 APE8-dihe-in -48.41, 121.71 APE8-rot-na 329.76 APE67-dihe-in -54.06, -45.26 -70.98, -26.96 APE12-dist-na 11.892 APE11-dist-na 7.024 APE10-dist-na 10.328 APE9-dist-in 6.224 None None None XRAY 3.17 0.209 0.264 A 273 270 3 0 0 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
8HMTB 117 388 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.529 13.483 ABAminus -91.46, -72.88 -101.02, 153.06 -135.07, 25.09 315.45, 85.41 -54.87, -35.23 in-in in 8.883 Saltbr-in 3.6 HRD-in -84.2, -43.48 69.63, 0.96 in-in-in SNCiii in-in ActLoopNT-in 3.063 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -126.21, 93.78 APE9-dihe-in -110.75, 147.04 APE8-dihe-in -62.13, 122.57 APE8-rot-na 330.26 APE67-dihe-in -58.09, -48.9 -67.75, -29.14 APE12-dist-na 12.287 APE11-dist-na 7.699 APE10-dist-na 10.144 APE9-dist-in 6.752 None None None XRAY 3.17 0.209 0.264 B 273 269 3 0 0 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
8HMTC 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.691 13.313 ABAminus -131.24, 29.48 -133.92, 126.7 -139.44, 20.75 308.54, 95.78 -72.46, -43.8 in-out in 8.879 Saltbr-out 6.202 HRD-in -85.66, -46.96 68.19, 1.14 out-in-in SNCoii in-in ActLoopNT-in 3.071 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -138.97, 132.16 APE9-dihe-in -105.55, 149.15 APE8-dihe-in -44.92, 133.48 APE8-rot-na 327.23 APE67-dihe-in -37.27, -59.27 -63.72, -43.44 APE12-dist-na 12.373 APE11-dist-na 7.113 APE10-dist-na 10.731 APE9-dist-in 5.956 None None None XRAY 3.17 0.209 0.264 C 273 262 11 0 0 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
3EQRA 117 392 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.867 13.382 ABAminus -128.87, 39.52 -159.68, 137.58 -136.82, 17.85 302.67, 104.42 -47.59, -35.87 in-in in 8.431 Saltbr-in 2.693 HRD-in -84.2, -49.01 74.75, 3.57 in-in-in SNCiii in-in ActLoopNT-in 2.863 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -146.69, 130.79 APE9-dihe-in -116.23, 133.53 APE8-dihe-in -52.18, 127.34 APE8-rot-na 331.23 APE67-dihe-in -63.51, -16.76 -51.88, -37.16 APE12-dist-na 12.21 APE11-dist-na 7.171 APE10-dist-na 10.355 APE9-dist-in 5.493 None None None XRAY 2.0 0.212 0.256 A 276 270 6 0 0 0 [[126, 387]] 1.0 3eqr TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
3EQRB 117 390 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.795 13.431 ABAminus -120.3, 36.38 -155.51, 142.4 -140.09, 20.29 304.07, 98.58 -61.13, -29.69 in-in in 8.515 Saltbr-in 2.733 HRD-in -83.74, -48.84 74.17, 1.55 in-in-in SNCiii in-in ActLoopNT-in 2.901 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.77, 150.09 APE9-dihe-in -122.65, 150.11 APE8-dihe-in -70.86, 79.63 APE8-rot-na 24.49 APE67-dihe-in -77.33, -9.73 -59.15, -33.0 APE12-dist-na 999.0 APE11-dist-na 9.236 APE10-dist-na 11.329 APE9-dist-in 6.67 None None None XRAY 2.0 0.212 0.256 B 276 271 3 0 0 3 [[126, 387]] 1.0 3eqr TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
3EQPA 117 390 1038.0 T95:1 Type1 Inactive DFGin 6.713 14.004 BLAminus -122.28, -169.39 49.91, 85.82 -103.52, 29.12 298.07, 93.89 -65.88, -22.57 in-in in 8.558 Saltbr-in 2.557 HRD-in -67.58, -47.8 79.03, -3.11 in-in-out SNCiio in-out ActLoopNT-in 2.937 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 41.47, 68.24 APE9-dihe-in -80.12, 152.64 APE8-dihe-in -67.7, 101.83 APE8-rot-na 335.05 APE67-dihe-in -66.98, -8.09 -37.76, -57.12 APE12-dist-na 12.432 APE11-dist-na 7.613 APE10-dist-na 11.69 APE9-dist-in 6.301 None None None XRAY 2.3 0.224 0.284 A 276 268 6 0 0 0 [[126, 387]] 1.0 3eqp TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
3EQPB 117 392 1038.0 T95:1 Type1 Inactive DFGin 6.747 13.941 BLAminus -134.99, 176.53 61.95, 90.21 -110.2, 23.83 297.71, 92.68 -58.95, -17.74 in-in in 8.422 Saltbr-in 2.579 HRD-in -73.01, -48.54 76.03, -4.13 in-in-out SNCiio in-out ActLoopNT-in 2.816 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 48.1, 56.77 APE9-dihe-in -72.7, 143.2 APE8-dihe-in -64.45, 112.29 APE8-rot-na 344.7 APE67-dihe-in -74.41, -9.69 -53.7, -41.09 APE12-dist-na 12.373 APE11-dist-na 7.514 APE10-dist-na 11.732 APE9-dist-in 6.173 None None None XRAY 2.3 0.224 0.284 B 276 270 6 0 0 0 [[126, 387]] 1.0 3eqp TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4HZSA 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.397 13.731 BLBplus -128.49, 177.6 75.97, 0.07 -64.52, 114.85 48.75, 95.91 91.75, 5.84 out-out out 13.902 Saltbr-out 13.592 HRD-in -83.45, -44.79 72.11, -12.8 out-out-out SNCooo out-out ActLoopNT-out 7.008 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.92 APE8-dihe-in -80.17, 58.22 APE8-rot-na 31.2 APE67-dihe-in -83.82, 0.51 -43.12, -45.6 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.561 None None None XRAY 3.23 0.247 0.27 A 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4HZSB 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.402 13.697 BLBplus -127.73, 176.98 75.42, 0.58 -63.8, 113.76 49.58, 96.39 93.88, 5.2 out-out out 13.895 Saltbr-out 13.564 HRD-in -82.56, -44.07 71.76, -13.74 out-out-out SNCooo out-out ActLoopNT-out 7.016 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.49 APE8-dihe-in -80.43, 57.86 APE8-rot-na 30.79 APE67-dihe-in -82.93, -0.7 -42.53, -45.05 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.552 None None None XRAY 3.23 0.247 0.27 B 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4HZSC 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.42 13.728 BLBplus -131.14, 178.08 74.14, -0.16 -64.4, 114.39 48.24, 95.76 92.64, 7.14 out-out out 13.88 Saltbr-out 13.56 HRD-in -80.94, -46.54 73.93, -15.02 out-out-out SNCooo out-out ActLoopNT-out 6.992 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.59 APE8-dihe-in -80.99, 59.29 APE8-rot-na 31.45 APE67-dihe-in -82.91, 0.04 -43.57, -45.3 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.568 None None None XRAY 3.23 0.247 0.27 C 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
4HZSD 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.403 13.707 BLBplus -127.5, 176.15 76.3, -0.17 -64.31, 115.24 47.66, 95.75 91.47, 5.35 out-out out 13.876 Saltbr-out 13.564 HRD-in -81.93, -43.89 71.65, -14.69 out-out-out SNCooo out-out ActLoopNT-out 7.016 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 150.39 APE8-dihe-in -81.82, 58.59 APE8-rot-na 31.39 APE67-dihe-in -80.9, -1.27 -43.09, -46.38 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.589 None None None XRAY 3.23 0.247 0.27 D 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
8HMTD 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.306 13.333 None -101.89, -122.34 -52.57, 148.88 -124.51, 20.24 302.36, 99.89 -60.05, -38.85 in-out in 8.563 Saltbr-out 3.702 HRD-in -85.57, -47.32 68.53, 3.51 out-in-in SNCoii in-in ActLoopNT-in 3.061 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -109.15, 128.97 APE9-dihe-in -122.52, 150.9 APE8-dihe-in -68.07, 94.15 APE8-rot-na 328.13 APE67-dihe-in -58.59, -46.12 -66.12, -27.69 APE12-dist-na 12.502 APE11-dist-na 7.808 APE10-dist-na 10.854 APE9-dist-in 5.856 None None None XRAY 3.17 0.209 0.264 D 273 262 11 0 0 0 [[126, 387]] 1.0 8hmt TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
5ZXBA 117 389 1038.0 9KO:401 Type2 Inactive DFGout 12.852 11.264 None -126.71, -163.29 -159.07, 87.59 -102.57, 999.0 328.97, 133.0 999.0, 999.0 in-in in 8.666 Saltbr-in 2.564 HRD-in -73.25, -51.97 78.84, -2.72 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 67.29 APE8-rot-na 28.55 APE67-dihe-in -73.12, -10.47 -54.59, -43.66 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.198 0.209 0.257 A 275 240 33 0 0 21 [[126, 387]] 1.0 5zxb TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
5ZXBB 117 389 1038.0 9KO:401 Type2 Inactive DFGout 12.904 10.951 None -127.77, -163.1 -162.7, 90.46 -101.67, 999.0 328.28, 133.86 999.0, 999.0 in-in in 8.729 Saltbr-in 2.716 HRD-in -72.25, -50.4 79.44, -3.02 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 67.74 APE8-rot-na 29.71 APE67-dihe-in -76.43, -11.56 -55.87, -46.48 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.198 0.209 0.257 B 275 241 32 0 0 21 [[126, 387]] 1.0 5zxb TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
1U4DA 117 389 1038.0 DBQ:398 Type1 None DFGin 6.5 13.536 BLAminus -127.17, -169.67 54.12, 72.77 -87.16, 24.56 310.51, 109.17 -62.52, -20.25 in-in in 8.735 Saltbr-in 3.176 HRD-in -80.08, -48.95 65.72, 7.9 in-in-none SNCiin in-none ActLoopNT-in 3.172 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -41.24 APE8-dihe-in -76.48, 82.61 APE8-rot-na 31.13 APE67-dihe-in -69.93, -17.0 -48.99, -48.23 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 6.562 None None None XRAY 2.1 0.205 0.248 A 291 258 15 0 0 7 [[126, 387]] 1.0 1u4d TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1

TYR_TNK2 (Activated CDC42 kinase 1)

Total number of chains: 32
Active chains: 6
Family: TYR
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 16 50.0% 4EWHA
DFGin BLAminus 9 28.1% AF-Q07912-K1A
DFGin BLBplus 4 12.5% 4HZSA
DFGout None 2 6.2% 5ZXBB
DFGin None 1 3.1% 8HMTD

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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
ACK1_HUMAN 1U54B Q07912 117 388 1038.0 ACP:400 ATPlike Active DFGin 6.615 13.378 BLAminus -120.4, -155.16 27.84, 85.75 -104.36, 38.7 310.01, 93.15 -67.71, -28.73 in-in in 7.966 Saltbr-in 3.021 HRD-in -109.84, -42.56 64.6, 13.11 in-in-in SNCiii in-in ActLoopNT-in 3.014 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -150.8, 133.1 APE9-dihe-in -126.86, 129.0 APE8-dihe-in -43.1, 130.27 APE8-rot-na 329.12 APE67-dihe-in -70.13, -6.6 -62.78, -39.45 APE12-dist-na 12.662 APE11-dist-na 7.646 APE10-dist-na 11.0 APE9-dist-in 5.878 None None None XRAY 2.8 0.226 0.322 B 291 261 11 0 0 0 [[126, 387]] 1.0 1u54 Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN AF-Q07912-K1A Q07912 118 395 1038.0 No_ligand No_ligand Active DFGin 6.402 13.809 BLAminus -127.81, -172.26 52.98, 78.87 -92.01, 15.18 300.66, 98.99 -61.2, -28.6 in-in in 9.068 Saltbr-in 2.884 HRD-in -71.74, -46.77 66.75, -6.3 in-in-in SNCiii in-in ActLoopNT-in 2.883 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -64.08, 137.58 APE9-dihe-in -124.59, 150.42 APE8-dihe-in -74.79, 77.42 APE8-rot-na 33.67 APE67-dihe-in -72.2, -16.05 -54.65, -32.93 APE12-dist-na 14.225 APE11-dist-na 8.173 APE10-dist-na 10.488 APE9-dist-in 6.215 None None None AF2 -1.0 1.0 1.0 A 278 278 0 0 0 0 [[126, 387]] 1.0 AF-Q07912-K1 Homo sapiens TYR_TNK2_HUMAN TYR 7.6e-86 293.5 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN AF-Q07912-K3A Q07912 118 395 1038.0 No_ligand No_ligand Active DFGin 6.282 13.816 BLAminus -132.02, -165.66 49.79, 76.66 -89.46, 13.86 302.75, 106.95 -62.78, -25.76 in-in in 9.153 Saltbr-in 2.829 HRD-in -75.54, -47.15 65.26, -2.61 in-in-in SNCiii in-in ActLoopNT-in 2.894 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -68.1, 134.59 APE9-dihe-in -125.28, 155.36 APE8-dihe-in -74.53, 75.69 APE8-rot-na 36.27 APE67-dihe-in -72.66, -16.99 -53.38, -31.64 APE12-dist-na 13.715 APE11-dist-na 7.749 APE10-dist-na 10.02 APE9-dist-in 5.715 None None None AF2 -1.0 1.0 1.0 A 278 278 0 0 0 0 [[126, 387]] 1.0 AF-Q07912-K3 Homo sapiens TYR_TNK2_HUMAN TYR 7.6e-86 293.5 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 1U46B Q07912 117 390 1038.0 No_ligand No_ligand Active DFGin 6.893 13.327 BLAminus -106.75, -162.4 39.69, 86.16 -96.94, 26.22 299.15, 109.43 -73.67, -16.41 in-in in 8.181 Saltbr-in 2.589 HRD-in -73.19, -48.75 76.75, -0.65 in-in-in SNCiii in-in ActLoopNT-in 2.921 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -148.81, 131.4 APE9-dihe-in -119.81, 131.46 APE8-dihe-in -52.5, 137.43 APE8-rot-na 348.53 APE67-dihe-in -65.13, -16.63 -61.62, -36.89 APE12-dist-na 12.238 APE11-dist-na 7.191 APE10-dist-na 10.215 APE9-dist-in 5.643 None None None XRAY 2.0 0.202 0.249 B 291 257 17 0 0 0 [[126, 387]] 1.0 1u46 Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 6VQMB Q07912 117 392 1038.0 R7P:401 Type1 Active DFGin 6.587 13.594 BLAminus -126.29, -176.9 60.12, 78.79 -101.99, 43.61 309.18, 96.93 -70.48, -42.01 in-in in 8.354 Saltbr-in 2.79 HRD-in -70.81, -44.97 67.08, 13.61 in-in-in SNCiii in-in ActLoopNT-in 3.034 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.03, 107.88 APE9-dihe-in -69.66, 138.93 APE8-dihe-in -77.17, 95.23 APE8-rot-na 27.59 APE67-dihe-in -70.22, -21.82 -51.53, -42.79 APE12-dist-na 12.263 APE11-dist-na 8.421 APE10-dist-na 12.201 APE9-dist-in 7.191 None None None XRAY 2.87 0.273 0.33 B 289 267 9 0 0 0 [[126, 387]] 1.0 6vqm Homo sapiens TYR_TNK2_HUMAN TYR 8.8e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 1U4DB Q07912 117 390 1038.0 DBQ:401 Type1 Active DFGin 6.743 13.286 BLAminus -120.44, -165.36 55.02, 77.38 -96.18, 18.83 299.22, 128.21 -61.51, -28.63 in-in in 8.506 Saltbr-in 3.09 HRD-in -78.19, -51.48 79.02, -2.19 in-in-in SNCiii in-in ActLoopNT-in 2.94 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -138.79, 137.8 APE9-dihe-in -124.54, 129.71 APE8-dihe-in -55.28, 140.91 APE8-rot-na 333.19 APE67-dihe-in -67.74, -15.49 -65.28, -34.43 APE12-dist-na 12.306 APE11-dist-na 7.19 APE10-dist-na 10.394 APE9-dist-in 5.748 None None None XRAY 2.1 0.205 0.248 B 291 262 12 0 0 0 [[126, 387]] 1.0 1u4d Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 1U54A Q07912 115 390 1038.0 ACP:101 ATPlike Inactive DFGin 6.381 13.426 ABAminus -129.39, -12.11 -146.47, 102.96 -102.84, 23.33 304.65, 105.91 -57.05, -37.37 in-in in 7.864 Saltbr-in 2.624 HRD-in -77.15, -49.8 83.51, -10.59 in-in-none SNCiin in-none ActLoopNT-in 2.835 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 126.54 APE8-dihe-in -75.47, 123.76 APE8-rot-na 349.96 APE67-dihe-in -43.9, -19.78 -62.08, -52.54 APE12-dist-na 11.808 APE11-dist-na 8.141 APE10-dist-na 999.0 APE9-dist-in 6.063 None PTR284 PTR284 XRAY 2.8 0.226 0.322 A 291 263 13 0 0 1 [[126, 387]] 1.0 1u54 Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4HZRA Q07912 117 389 1038.0 No_ligand No_ligand Inactive DFGin 6.941 13.337 ABAminus -116.61, 0.1 -140.48, 143.47 -137.83, 29.0 303.1, 95.78 -63.74, -22.82 in-in in 8.671 Saltbr-in 3.014 HRD-in -78.97, -45.99 73.0, 0.05 in-in-in SNCiii in-in ActLoopNT-in 2.852 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -137.45, 121.81 APE9-dihe-in -117.27, 126.54 APE8-dihe-in -48.18, 134.62 APE8-rot-na 331.8 APE67-dihe-in -67.06, -18.13 -62.19, -35.06 APE12-dist-na 12.221 APE11-dist-na 7.476 APE10-dist-na 10.368 APE9-dist-in 5.64 None None None XRAY 1.31 0.197 0.209 A 277 261 12 0 0 0 [[126, 387]] 1.0 4hzr Homo sapiens TYR_TNK2_HUMAN TYR 7.5e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4HZRB Q07912 118 389 1038.0 No_ligand No_ligand Inactive DFGin 6.926 13.203 ABAminus -114.0, -2.21 -142.3, 141.19 -136.9, 28.97 303.67, 94.73 -65.41, -14.9 in-in in 8.32 Saltbr-in 2.784 HRD-in -81.57, -44.88 71.99, 1.77 in-in-in SNCiii in-in ActLoopNT-in 2.878 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.7, 123.01 APE9-dihe-in -130.03, 154.84 APE8-dihe-in -57.54, 124.6 APE8-rot-na 334.8 APE67-dihe-in -72.23, -12.85 -67.01, -33.63 APE12-dist-na 13.405 APE11-dist-na 8.572 APE10-dist-na 12.141 APE9-dist-in 6.958 None None None XRAY 1.31 0.197 0.209 B 277 258 14 0 0 0 [[126, 387]] 1.0 4hzr Homo sapiens TYR_TNK2_HUMAN TYR 7.5e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 1U46A Q07912 117 389 1038.0 No_ligand No_ligand Inactive DFGin 6.677 13.606 ABAminus -105.04, -15.76 -135.27, 148.5 -140.73, 24.35 300.72, 95.61 -66.87, -16.87 in-in in 8.88 Saltbr-in 3.042 HRD-in -74.47, -45.94 65.29, 8.06 in-in-none SNCiin in-none ActLoopNT-in 3.08 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 148.6 APE8-dihe-in -40.6, 125.73 APE8-rot-na 326.91 APE67-dihe-in -63.61, -22.03 -68.77, -33.68 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 5.487 None None None XRAY 2.0 0.202 0.249 A 291 255 18 0 0 6 [[126, 387]] 1.0 1u46 Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4EWHA Q07912 117 391 1038.0 T77:401 Type1 Inactive DFGin 6.897 13.758 ABAminus -112.33, -10.32 -127.98, 158.61 -163.96, 19.15 297.07, 109.95 -51.93, -22.07 in-in in 8.363 Saltbr-in 2.841 HRD-in -80.55, -48.4 69.82, -0.05 in-in-in SNCiii in-in ActLoopNT-in 2.784 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.82, 134.34 APE9-dihe-in -105.63, 146.75 APE8-dihe-in -58.9, 128.31 APE8-rot-na 332.95 APE67-dihe-in -67.17, -17.01 -59.23, -34.05 APE12-dist-na 12.371 APE11-dist-na 7.33 APE10-dist-na 11.496 APE9-dist-in 5.965 None PTR284 PTR284 XRAY 2.5 0.259 0.313 A 275 275 0 0 0 0 [[126, 387]] 1.0 4ewh Homo sapiens TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4EWHB Q07912 117 390 1038.0 T77:401 Type1 Inactive DFGin 6.814 13.781 ABAminus -113.99, 0.05 -132.38, 146.39 -142.78, 20.76 303.22, 103.13 -48.09, -26.49 in-in in 8.335 Saltbr-in 2.677 HRD-in -88.91, -43.41 72.85, -2.08 in-in-in SNCiii in-in ActLoopNT-in 2.803 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -105.83, 138.68 APE9-dihe-in -104.08, 148.64 APE8-dihe-in -58.72, 120.66 APE8-rot-na 340.66 APE67-dihe-in -66.41, -17.16 -49.99, -36.4 APE12-dist-na 12.424 APE11-dist-na 7.355 APE10-dist-na 11.541 APE9-dist-in 5.922 None PTR284 PTR284 XRAY 2.5 0.259 0.313 B 275 274 0 0 0 0 [[126, 387]] 1.0 4ewh Homo sapiens TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 7KP6A Q07912 117 391 1038.0 WTP:401 Type1 Inactive DFGin 6.987 13.074 ABAminus -120.5, 2.81 -142.4, 134.01 -133.76, 28.84 306.02, 91.7 -68.06, -13.37 in-out in 8.711 Saltbr-out 4.439 HRD-in -78.88, -45.58 72.69, 3.73 out-in-in SNCoii in-in ActLoopNT-in 2.814 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -141.02, 134.34 APE9-dihe-in -120.0, 134.77 APE8-dihe-in -57.68, 136.22 APE8-rot-na 336.49 APE67-dihe-in -65.99, -13.55 -58.92, -37.48 APE12-dist-na 12.273 APE11-dist-na 7.282 APE10-dist-na 10.479 APE9-dist-in 5.598 None None None XRAY 1.79 0.179 0.203 A 287 268 7 0 0 0 [[126, 387]] 1.0 7kp6 Homo sapiens TYR_TNK2_HUMAN TYR 8.6e-86 293.4 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 7KP6B Q07912 117 391 1038.0 WTP:401 Type1 Inactive DFGin 6.971 13.41 ABAminus -118.46, 0.28 -140.74, 140.65 -134.73, 29.67 302.28, 95.76 -64.4, -24.8 in-in in 8.466 Saltbr-in 2.483 HRD-in -80.63, -45.48 68.06, 5.55 in-in-none SNCiin in-none ActLoopNT-in 2.891 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 149.74 APE9-dihe-in -131.88, 157.91 APE8-dihe-in -71.95, 81.45 APE8-rot-na 27.93 APE67-dihe-in -74.26, -9.58 -63.95, -29.15 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.433 APE9-dist-in 6.546 None None None XRAY 1.79 0.179 0.203 B 287 265 10 0 0 4 [[126, 387]] 1.0 7kp6 Homo sapiens TYR_TNK2_HUMAN TYR 8.6e-86 293.4 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 6VQMA Q07912 117 390 1038.0 R7P:401 Type1 Inactive DFGin 6.168 13.464 ABAminus -107.72, -37.34 -107.23, 139.71 -135.32, 26.09 306.21, 97.86 -71.9, -43.92 in-in in 8.577 Saltbr-in 2.571 HRD-in -71.98, -51.6 65.1, 16.99 in-in-in SNCiii in-in ActLoopNT-in 2.996 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -78.12, 107.17 APE9-dihe-in -75.55, 154.5 APE8-dihe-in -75.48, 79.2 APE8-rot-na 33.66 APE67-dihe-in -66.81, -24.97 -59.46, -37.23 APE12-dist-na 13.543 APE11-dist-na 8.287 APE10-dist-na 10.844 APE9-dist-in 6.573 None None None XRAY 2.87 0.273 0.33 A 289 267 7 0 0 0 [[126, 387]] 1.0 6vqm Homo sapiens TYR_TNK2_HUMAN TYR 8.8e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 8FE9A Q07912 117 390 1038.0 WTP:401 Type1 Inactive DFGin 7.37 13.018 ABAminus -105.28, -25.45 -117.67, 141.58 -139.74, 24.77 304.61, 88.92 -62.34, -21.69 in-in in 9.179 Saltbr-in 3.598 HRD-in -80.64, -42.58 70.6, 2.92 in-in-in SNCiii in-in ActLoopNT-in 2.919 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.63, 116.01 APE9-dihe-in -111.81, 145.17 APE8-dihe-in -57.08, 126.3 APE8-rot-na 336.42 APE67-dihe-in -51.19, -45.24 -69.67, -25.96 APE12-dist-na 13.251 APE11-dist-na 7.955 APE10-dist-na 11.971 APE9-dist-in 6.328 K161Q None None XRAY 3.2 0.192 0.228 A 287 274 0 0 0 0 [[126, 387]] 1.0 8fe9 Homo sapiens TYR_TNK2_HUMAN TYR 1.7e-85 292.4 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4ID7A Q07912 117 389 1038.0 1G0:401 Type1.5_Back Inactive DFGin 7.3 14.149 ABAminus -100.89, -41.99 -119.98, 142.93 -136.82, 28.94 304.41, 92.31 -64.16, -28.63 out-out out 10.594 Saltbr-out 5.173 HRD-in -73.52, -37.85 67.07, 1.92 out-in-in SNCoii in-in ActLoopNT-in 2.78 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -94.45, 115.86 APE9-dihe-in -72.04, 137.46 APE8-dihe-in -82.5, 104.34 APE8-rot-na 27.83 APE67-dihe-in -58.7, -32.88 -52.23, -52.86 APE12-dist-na 13.371 APE11-dist-na 8.528 APE10-dist-na 10.996 APE9-dist-in 6.893 None None None XRAY 3.0 0.213 0.259 A 273 268 5 0 0 0 [[126, 387]] 1.0 4id7 Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 8HMTA Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.473 13.951 ABAminus -118.49, 19.83 -162.39, 140.84 -133.87, 20.8 306.3, 104.45 -62.09, -37.78 in-out in 9.042 Saltbr-out 3.701 HRD-in -83.9, -47.14 69.67, 4.35 out-in-in SNCoii in-in ActLoopNT-in 3.198 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -131.87, 119.25 APE9-dihe-in -119.04, 129.31 APE8-dihe-in -48.41, 121.71 APE8-rot-na 329.76 APE67-dihe-in -54.06, -45.26 -70.98, -26.96 APE12-dist-na 11.892 APE11-dist-na 7.024 APE10-dist-na 10.328 APE9-dist-in 6.224 None None None XRAY 3.17 0.209 0.264 A 273 270 3 0 0 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 8HMTB Q07912 117 388 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.529 13.483 ABAminus -91.46, -72.88 -101.02, 153.06 -135.07, 25.09 315.45, 85.41 -54.87, -35.23 in-in in 8.883 Saltbr-in 3.6 HRD-in -84.2, -43.48 69.63, 0.96 in-in-in SNCiii in-in ActLoopNT-in 3.063 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -126.21, 93.78 APE9-dihe-in -110.75, 147.04 APE8-dihe-in -62.13, 122.57 APE8-rot-na 330.26 APE67-dihe-in -58.09, -48.9 -67.75, -29.14 APE12-dist-na 12.287 APE11-dist-na 7.699 APE10-dist-na 10.144 APE9-dist-in 6.752 None None None XRAY 3.17 0.209 0.264 B 273 269 3 0 0 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 8HMTC Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.691 13.313 ABAminus -131.24, 29.48 -133.92, 126.7 -139.44, 20.75 308.54, 95.78 -72.46, -43.8 in-out in 8.879 Saltbr-out 6.202 HRD-in -85.66, -46.96 68.19, 1.14 out-in-in SNCoii in-in ActLoopNT-in 3.071 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -138.97, 132.16 APE9-dihe-in -105.55, 149.15 APE8-dihe-in -44.92, 133.48 APE8-rot-na 327.23 APE67-dihe-in -37.27, -59.27 -63.72, -43.44 APE12-dist-na 12.373 APE11-dist-na 7.113 APE10-dist-na 10.731 APE9-dist-in 5.956 None None None XRAY 3.17 0.209 0.264 C 273 262 11 0 0 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 3EQRA Q07912 117 392 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.867 13.382 ABAminus -128.87, 39.52 -159.68, 137.58 -136.82, 17.85 302.67, 104.42 -47.59, -35.87 in-in in 8.431 Saltbr-in 2.693 HRD-in -84.2, -49.01 74.75, 3.57 in-in-in SNCiii in-in ActLoopNT-in 2.863 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -146.69, 130.79 APE9-dihe-in -116.23, 133.53 APE8-dihe-in -52.18, 127.34 APE8-rot-na 331.23 APE67-dihe-in -63.51, -16.76 -51.88, -37.16 APE12-dist-na 12.21 APE11-dist-na 7.171 APE10-dist-na 10.355 APE9-dist-in 5.493 None None None XRAY 2.0 0.212 0.256 A 276 270 6 0 0 0 [[126, 387]] 1.0 3eqr Homo sapiens TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 3EQRB Q07912 117 390 1038.0 T74:1 Type1.5_Back Inactive DFGin 6.795 13.431 ABAminus -120.3, 36.38 -155.51, 142.4 -140.09, 20.29 304.07, 98.58 -61.13, -29.69 in-in in 8.515 Saltbr-in 2.733 HRD-in -83.74, -48.84 74.17, 1.55 in-in-in SNCiii in-in ActLoopNT-in 2.901 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.77, 150.09 APE9-dihe-in -122.65, 150.11 APE8-dihe-in -70.86, 79.63 APE8-rot-na 24.49 APE67-dihe-in -77.33, -9.73 -59.15, -33.0 APE12-dist-na 999.0 APE11-dist-na 9.236 APE10-dist-na 11.329 APE9-dist-in 6.67 None None None XRAY 2.0 0.212 0.256 B 276 271 3 0 0 3 [[126, 387]] 1.0 3eqr Homo sapiens TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 3EQPA Q07912 117 390 1038.0 T95:1 Type1 Inactive DFGin 6.713 14.004 BLAminus -122.28, -169.39 49.91, 85.82 -103.52, 29.12 298.07, 93.89 -65.88, -22.57 in-in in 8.558 Saltbr-in 2.557 HRD-in -67.58, -47.8 79.03, -3.11 in-in-out SNCiio in-out ActLoopNT-in 2.937 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 41.47, 68.24 APE9-dihe-in -80.12, 152.64 APE8-dihe-in -67.7, 101.83 APE8-rot-na 335.05 APE67-dihe-in -66.98, -8.09 -37.76, -57.12 APE12-dist-na 12.432 APE11-dist-na 7.613 APE10-dist-na 11.69 APE9-dist-in 6.301 None None None XRAY 2.3 0.224 0.284 A 276 268 6 0 0 0 [[126, 387]] 1.0 3eqp Homo sapiens TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 3EQPB Q07912 117 392 1038.0 T95:1 Type1 Inactive DFGin 6.747 13.941 BLAminus -134.99, 176.53 61.95, 90.21 -110.2, 23.83 297.71, 92.68 -58.95, -17.74 in-in in 8.422 Saltbr-in 2.579 HRD-in -73.01, -48.54 76.03, -4.13 in-in-out SNCiio in-out ActLoopNT-in 2.816 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 48.1, 56.77 APE9-dihe-in -72.7, 143.2 APE8-dihe-in -64.45, 112.29 APE8-rot-na 344.7 APE67-dihe-in -74.41, -9.69 -53.7, -41.09 APE12-dist-na 12.373 APE11-dist-na 7.514 APE10-dist-na 11.732 APE9-dist-in 6.173 None None None XRAY 2.3 0.224 0.284 B 276 270 6 0 0 0 [[126, 387]] 1.0 3eqp Homo sapiens TYR_TNK2_HUMAN TYR 7.4e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4HZSA Q07912 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.397 13.731 BLBplus -128.49, 177.6 75.97, 0.07 -64.52, 114.85 48.75, 95.91 91.75, 5.84 out-out out 13.902 Saltbr-out 13.592 HRD-in -83.45, -44.79 72.11, -12.8 out-out-out SNCooo out-out ActLoopNT-out 7.008 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.92 APE8-dihe-in -80.17, 58.22 APE8-rot-na 31.2 APE67-dihe-in -83.82, 0.51 -43.12, -45.6 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.561 None None None XRAY 3.23 0.247 0.27 A 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs Homo sapiens TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4HZSB Q07912 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.402 13.697 BLBplus -127.73, 176.98 75.42, 0.58 -63.8, 113.76 49.58, 96.39 93.88, 5.2 out-out out 13.895 Saltbr-out 13.564 HRD-in -82.56, -44.07 71.76, -13.74 out-out-out SNCooo out-out ActLoopNT-out 7.016 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.49 APE8-dihe-in -80.43, 57.86 APE8-rot-na 30.79 APE67-dihe-in -82.93, -0.7 -42.53, -45.05 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.552 None None None XRAY 3.23 0.247 0.27 B 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs Homo sapiens TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4HZSC Q07912 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.42 13.728 BLBplus -131.14, 178.08 74.14, -0.16 -64.4, 114.39 48.24, 95.76 92.64, 7.14 out-out out 13.88 Saltbr-out 13.56 HRD-in -80.94, -46.54 73.93, -15.02 out-out-out SNCooo out-out ActLoopNT-out 6.992 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.59 APE8-dihe-in -80.99, 59.29 APE8-rot-na 31.45 APE67-dihe-in -82.91, 0.04 -43.57, -45.3 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.568 None None None XRAY 3.23 0.247 0.27 C 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs Homo sapiens TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 4HZSD Q07912 115 446 1038.0 No_ligand No_ligand Inactive DFGin 5.403 13.707 BLBplus -127.5, 176.15 76.3, -0.17 -64.31, 115.24 47.66, 95.75 91.47, 5.35 out-out out 13.876 Saltbr-out 13.564 HRD-in -81.93, -43.89 71.65, -14.69 out-out-out SNCooo out-out ActLoopNT-out 7.016 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 150.39 APE8-dihe-in -81.82, 58.59 APE8-rot-na 31.39 APE67-dihe-in -80.9, -1.27 -43.09, -46.38 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.589 None None None XRAY 3.23 0.247 0.27 D 341 319 13 0 0 13 [[126, 387]] 1.0 4hzs Homo sapiens TYR_TNK2_HUMAN TYR 1.6e-85 292.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 8HMTD Q07912 117 389 1038.0 LWX:401 Type1.5_Back Inactive DFGin 6.306 13.333 None -101.89, -122.34 -52.57, 148.88 -124.51, 20.24 302.36, 99.89 -60.05, -38.85 in-out in 8.563 Saltbr-out 3.702 HRD-in -85.57, -47.32 68.53, 3.51 out-in-in SNCoii in-in ActLoopNT-in 3.061 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -109.15, 128.97 APE9-dihe-in -122.52, 150.9 APE8-dihe-in -68.07, 94.15 APE8-rot-na 328.13 APE67-dihe-in -58.59, -46.12 -66.12, -27.69 APE12-dist-na 12.502 APE11-dist-na 7.808 APE10-dist-na 10.854 APE9-dist-in 5.856 None None None XRAY 3.17 0.209 0.264 D 273 262 11 0 0 0 [[126, 387]] 1.0 8hmt Homo sapiens TYR_TNK2_HUMAN TYR 7.1e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 5ZXBA Q07912 117 389 1038.0 9KO:401 Type2 Inactive DFGout 12.852 11.264 None -126.71, -163.29 -159.07, 87.59 -102.57, 999.0 328.97, 133.0 999.0, 999.0 in-in in 8.666 Saltbr-in 2.564 HRD-in -73.25, -51.97 78.84, -2.72 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 67.29 APE8-rot-na 28.55 APE67-dihe-in -73.12, -10.47 -54.59, -43.66 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.198 0.209 0.257 A 275 240 33 0 0 21 [[126, 387]] 1.0 5zxb Homo sapiens TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 5ZXBB Q07912 117 389 1038.0 9KO:401 Type2 Inactive DFGout 12.904 10.951 None -127.77, -163.1 -162.7, 90.46 -101.67, 999.0 328.28, 133.86 999.0, 999.0 in-in in 8.729 Saltbr-in 2.716 HRD-in -72.25, -50.4 79.44, -3.02 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 67.74 APE8-rot-na 29.71 APE67-dihe-in -76.43, -11.56 -55.87, -46.48 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 None None None XRAY 2.198 0.209 0.257 B 275 241 32 0 0 21 [[126, 387]] 1.0 5zxb Homo sapiens TYR_TNK2_HUMAN TYR 7.3e-86 293.6 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
ACK1_HUMAN 1U4DA Q07912 117 389 1038.0 DBQ:398 Type1 None DFGin 6.5 13.536 BLAminus -127.17, -169.67 54.12, 72.77 -87.16, 24.56 310.51, 109.17 -62.52, -20.25 in-in in 8.735 Saltbr-in 3.176 HRD-in -80.08, -48.95 65.72, 7.9 in-in-none SNCiin in-none ActLoopNT-in 3.172 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -41.24 APE8-dihe-in -76.48, 82.61 APE8-rot-na 31.13 APE67-dihe-in -69.93, -17.0 -48.99, -48.23 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 6.562 None None None XRAY 2.1 0.205 0.248 A 291 258 15 0 0 7 [[126, 387]] 1.0 1u4d Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1 259 259 269 270 271 273 275 158 177 181 249 251 250 252 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1

TYR_TNK2 (Activated CDC42 kinase 1)

Total number of chains: 0
Active chains: 0
Family: TYR
Spatial label Dihedral label Number of Chains Percent Representative

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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