Ligand: DBQ

Total number of chains: 5
Active chains: 3
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 1Z57A
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 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 CHEK1 CHK1_HUMAN 2C3JA O14757 6 270 476.0 DBQ:1271 Type1 Active DFGin 6.95 14.213 BLAminus -126.74, 163.69 80.23, 87.53 -90.31, 22.21 294.83, 82.32 -58.14, -33.43 in-in in 8.796 Saltbr-in 2.899 HRD-in -73.1, -48.96 76.11, 1.81 in-in-in SNCiii in-in ActLoopNT-in 2.882 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.88, 175.78 APE9-dihe-na 109.29, -146.39 APE8-dihe-in -139.98, 118.77 APE8-rot-in 292.58 APE67-dihe-in -63.48, -24.39 -42.88, -48.22 APE12-dist-in 9.223 APE11-dist-in 11.743 APE10-dist-in 6.236 APE9-dist-in 3.31 None None None XRAY 2.1 0.186 0.262 A 297 257 8 0 0 0 [[9, 265]] 1.0 2c3j CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2 256 255 147 148 149 151 153 38 55 59 127 129 128 130 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK2 CHK2_HUMAN 2CN8A O96017 212 503 543.0 DBQ:1506 Type1 Inactive DFGin 6.683 14.026 BLAminus -126.23, -176.93 68.63, 82.3 -102.35, 19.5 293.05, 94.64 -53.78, -39.11 in-out in 9.102 Saltbr-out 4.864 HRD-in -79.47, -58.42 90.84, -5.13 out-in-out SNCoio in-out ActLoopNT-in 2.843 ActLoopCT-out nonTYR APEdihe_aannn APEdist_ooon APE10-dihe-na -88.18, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -60.25, 2.43 999.0, -77.69 APE12-dist-out 23.072 APE11-dist-out 26.68 APE10-dist-out 29.592 APE9-dist-none 999.0 None None None XRAY 2.7 0.207 0.271 A 329 266 26 0 0 4 [[220, 486]] 1.0 2cn8 CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1 256 256 367 368 369 371 373 249 273 277 344 346 345 347 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2
CMGC CLK1 CLK1_HUMAN 1Z57A P49759 148 482 484.0 DBQ:60001 Type1 Active DFGin 6.981 14.002 BLAminus -125.78, 172.53 74.79, 89.46 -108.53, 21.5 296.6, 99.61 -72.51, -21.17 in-in in 8.466 Saltbr-in 2.788 HRD-in -70.25, -52.83 80.14, -14.55 in-in-in SNCiii in-in ActLoopNT-in 2.943 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.0, 169.19 APE9-dihe-na 76.16, 157.77 APE8-dihe-in -82.83, 140.18 APE8-rot-in 294.7 APE67-dihe-in -63.99, -15.88 -47.28, -50.61 APE12-dist-in 13.322 APE11-dist-in 11.223 APE10-dist-in 7.313 APE9-dist-in 3.001 None None None XRAY 1.7 0.14 0.186 A 339 331 4 0 0 0 [[161, 477]] 1.0 1z57 CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
TYR TNK2 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 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 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 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

Ligand: DBQ

Total number of chains: 5
Active chains: 3
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 1Z57A
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 CHEK1 CHK1_HUMAN 2C3JA O14757 6 270 476.0 DBQ:1271 Type1 Active DFGin 6.95 14.213 BLAminus -126.74, 163.69 80.23, 87.53 -90.31, 22.21 294.83, 82.32 -58.14, -33.43 in-in in 8.796 Saltbr-in 2.899 HRD-in -73.1, -48.96 76.11, 1.81 in-in-in SNCiii in-in ActLoopNT-in 2.882 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.88, 175.78 APE9-dihe-na 109.29, -146.39 APE8-dihe-in -139.98, 118.77 APE8-rot-in 292.58 APE67-dihe-in -63.48, -24.39 -42.88, -48.22 APE12-dist-in 9.223 APE11-dist-in 11.743 APE10-dist-in 6.236 APE9-dist-in 3.31 None None None XRAY 2.1 0.186 0.262 A 297 257 8 0 0 0 [[9, 265]] 1.0 2c3j Homo sapiens CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2 256 255 147 148 149 151 153 38 55 59 127 129 128 130 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK2 CHK2_HUMAN 2CN8A O96017 212 503 543.0 DBQ:1506 Type1 Inactive DFGin 6.683 14.026 BLAminus -126.23, -176.93 68.63, 82.3 -102.35, 19.5 293.05, 94.64 -53.78, -39.11 in-out in 9.102 Saltbr-out 4.864 HRD-in -79.47, -58.42 90.84, -5.13 out-in-out SNCoio in-out ActLoopNT-in 2.843 ActLoopCT-out nonTYR APEdihe_aannn APEdist_ooon APE10-dihe-na -88.18, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -60.25, 2.43 999.0, -77.69 APE12-dist-out 23.072 APE11-dist-out 26.68 APE10-dist-out 29.592 APE9-dist-none 999.0 None None None XRAY 2.7 0.207 0.271 A 329 266 26 0 0 4 [[220, 486]] 1.0 2cn8 Homo sapiens CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1 256 256 367 368 369 371 373 249 273 277 344 346 345 347 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2
CMGC CLK1 CLK1_HUMAN 1Z57A P49759 148 482 484.0 DBQ:60001 Type1 Active DFGin 6.981 14.002 BLAminus -125.78, 172.53 74.79, 89.46 -108.53, 21.5 296.6, 99.61 -72.51, -21.17 in-in in 8.466 Saltbr-in 2.788 HRD-in -70.25, -52.83 80.14, -14.55 in-in-in SNCiii in-in ActLoopNT-in 2.943 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.0, 169.19 APE9-dihe-na 76.16, 157.77 APE8-dihe-in -82.83, 140.18 APE8-rot-in 294.7 APE67-dihe-in -63.99, -15.88 -47.28, -50.61 APE12-dist-in 13.322 APE11-dist-in 11.223 APE10-dist-in 7.313 APE9-dist-in 3.001 None None None XRAY 1.7 0.14 0.186 A 339 331 4 0 0 0 [[161, 477]] 1.0 1z57 Homo sapiens CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
TYR TNK2 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 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

Ligand: DBQ

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

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