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
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
CAMK CHEK1 CHK1_HUMAN 2C3JA O14757 6 270 476.0 DBQ:1271 Type1 Active DFGin 6.9504 14.2133 BLAminus -126.74, 163.69 80.23, 87.53 -90.31, 22.21 294.83, 82.32 -58.14, -33.43 in-in in 8.7959 Saltbr-in 2.8986 HRD-in -73.1, -48.96 76.11, 1.81 in-in-in SNCiii in-in ActLoopNT-in 2.8824 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 9.2225 APE11-dist-in 11.7433 APE10-dist-in 6.2357 APE9-dist-in 3.31 None None None XRAY 2.1 0.186 0.262 A 297.0 257.0 8 30 30 0 [[9, 265]] 1.0 2c3j CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK2 CHK2_HUMAN 2CN8A O96017 212 503 543.0 DBQ:1506 Type1 Inactive DFGin 6.6829 14.0259 BLAminus -126.23, -176.93 68.63, 82.3 -102.35, 19.5 293.05, 94.64 -53.78, -39.11 in-out in 9.1023 Saltbr-out 4.864 HRD-in -79.47, -58.42 90.84, -5.13 out-in-out SNCoio in-out ActLoopNT-in 2.8431 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 26.6802 APE10-dist-out 29.5924 APE9-dist-none 999.0 None None None XRAY 2.7 0.207 0.271 A 329.0 266.0 26 27 23 4 [[220, 486]] 1.0 2cn8 CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1.0 256.0 256.0 367 368 369 371 373 249 273 277 344 346 345 347.0 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2
CMGC CLK1 CLK1_HUMAN 1Z57A P49759 148 482 484.0 DBQ:60001 Type1 Active DFGin 6.9813 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 8.4658 Saltbr-in 2.7879 HRD-in -70.25, -52.83 80.14, -14.55 in-in-in SNCiii in-in ActLoopNT-in 2.9435 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 13.3216 APE11-dist-in 11.2235 APE10-dist-in 7.313 APE9-dist-in 3.0014 None None None XRAY 1.7 0.14 0.186 A 339.0 331.0 4 25 25 0 [[161, 477]] 1.0 1z57 CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
TYR TNK2 ACK1_HUMAN 1U4DA Q07912 117 389 1038.0 DBQ:398 Type1 None DFGin 6.4998 13.5355 BLAminus -127.17, -169.67 54.12, 72.77 -87.16, 24.56 310.51, 109.17 -62.52, -20.25 in-in in 8.7352 Saltbr-in 3.176 HRD-in -80.08, -48.95 65.72, 7.9 in-in-none SNCiin in-none ActLoopNT-in 3.1723 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 6.5623 None None None XRAY 2.1 0.205 0.248 A 291.0 258.0 15 31 24 7 [[126, 387]] 1.0 1u4d TYR_TNK2_HUMAN TYR 9e-86 293.3 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 1U4DB Q07912 117 390 1038.0 DBQ:401 Type1 Active DFGin 6.7434 13.2857 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 12.3065 APE11-dist-na 7.1903 APE10-dist-na 10.3941 APE9-dist-in 5.7477 None None None XRAY 2.1 0.205 0.248 B 291.0 262.0 12 31 31 0 [[126, 387]] 1.0 1u4d TYR_TNK2_HUMAN TYR 9e-86 293.3 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 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
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
CAMK CHEK1 CHK1_HUMAN 2C3JA O14757 6 270 476.0 DBQ:1271 Type1 Active DFGin 6.9504 14.2133 BLAminus -126.74, 163.69 80.23, 87.53 -90.31, 22.21 294.83, 82.32 -58.14, -33.43 in-in in 8.7959 Saltbr-in 2.8986 HRD-in -73.1, -48.96 76.11, 1.81 in-in-in SNCiii in-in ActLoopNT-in 2.8824 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 9.2225 APE11-dist-in 11.7433 APE10-dist-in 6.2357 APE9-dist-in 3.31 None None None XRAY 2.1 0.186 0.262 A 297.0 257.0 8 30 30 0 [[9, 265]] 1.0 2c3j Homo sapiens CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK2 CHK2_HUMAN 2CN8A O96017 212 503 543.0 DBQ:1506 Type1 Inactive DFGin 6.6829 14.0259 BLAminus -126.23, -176.93 68.63, 82.3 -102.35, 19.5 293.05, 94.64 -53.78, -39.11 in-out in 9.1023 Saltbr-out 4.864 HRD-in -79.47, -58.42 90.84, -5.13 out-in-out SNCoio in-out ActLoopNT-in 2.8431 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 26.6802 APE10-dist-out 29.5924 APE9-dist-none 999.0 None None None XRAY 2.7 0.207 0.271 A 329.0 266.0 26 27 23 4 [[220, 486]] 1.0 2cn8 Homo sapiens CAMK_CHEK2_HUMAN CAMK 2.1e-85 292.1 1.0 256.0 256.0 367 368 369 371 373 249 273 277 344 346 345 347.0 409 394 389 388 387 386 385 384 383 302 Serine/threonine-protein kinase Chk2
CMGC CLK1 CLK1_HUMAN 1Z57A P49759 148 482 484.0 DBQ:60001 Type1 Active DFGin 6.9813 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 8.4658 Saltbr-in 2.7879 HRD-in -70.25, -52.83 80.14, -14.55 in-in-in SNCiii in-in ActLoopNT-in 2.9435 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 13.3216 APE11-dist-in 11.2235 APE10-dist-in 7.313 APE9-dist-in 3.0014 None None None XRAY 1.7 0.14 0.186 A 339.0 331.0 4 25 25 0 [[161, 477]] 1.0 1z57 Homo sapiens CMGC_CLK1_HUMAN CMGC 2.5e-93 318.5 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
TYR TNK2 ACK1_HUMAN 1U4DA Q07912 117 389 1038.0 DBQ:398 Type1 None DFGin 6.4998 13.5355 BLAminus -127.17, -169.67 54.12, 72.77 -87.16, 24.56 310.51, 109.17 -62.52, -20.25 in-in in 8.7352 Saltbr-in 3.176 HRD-in -80.08, -48.95 65.72, 7.9 in-in-none SNCiin in-none ActLoopNT-in 3.1723 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 6.5623 None None None XRAY 2.1 0.205 0.248 A 291.0 258.0 15 31 24 7 [[126, 387]] 1.0 1u4d Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 Activated CDC42 kinase 1
TYR TNK2 ACK1_HUMAN 1U4DB Q07912 117 390 1038.0 DBQ:401 Type1 Active DFGin 6.7434 13.2857 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 12.3065 APE11-dist-na 7.1903 APE10-dist-na 10.3941 APE9-dist-in 5.7477 None None None XRAY 2.1 0.205 0.248 B 291.0 262.0 12 31 31 0 [[126, 387]] 1.0 1u4d Homo sapiens TYR_TNK2_HUMAN TYR 9e-86 293.3 1.0 259.0 259.0 269 270 271 273 275 158 177 181 249 251 250 252.0 312 300 295 294 293 292 291 290 289 206 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
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