Ligand: 8X7 (Adavosertib)

Total number of chains: 5
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 5VD0A
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 PLK1 PLK1_HUMAN 8BJTA P53350 39 330 603.0 8X7:402 Type1 Inactive DFGin 5.7433 14.3115 BLAminus -146.49, -170.45 55.69, 70.04 -90.08, 22.34 281.62, 90.95 -60.02, -37.94 in-in in 9.2218 Saltbr-in 2.728 HRD-in -68.54, -47.7 72.42, -10.0 in-in-out SNCiio in-out ActLoopNT-in 2.9242 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iooo APE10-dihe-na -90.89, 99.31 APE9-dihe-na 143.06, 169.47 APE8-dihe-in -120.75, 101.21 APE8-rot-out 199.98 APE67-dihe-out -76.79, -55.69 -65.4, 158.12 APE12-dist-in 11.1597 APE11-dist-out 7.4033 APE10-dist-out 8.2363 APE9-dist-out 8.5627 None None None XRAY 2.188 0.203 0.255 A 294.0 292.0 0 28 28 0 [[53, 305]] 1.0 8bjt CAMK_PLK1_HUMAN CAMK 1.1e-78 270.0 1.0 256.0 256.0 193 194 195 197 199 82 101 105 173 175 174 176.0 233 221 216 215 214 213 212 211 210 131 Serine/threonine-protein kinase PLK1
CAMK PLK1 PLK1_HUMAN 9D0PA P53350 37 330 603.0 8X7:401 Type1 Inactive DFGin 5.9321 14.4667 BLAminus -127.97, -167.66 73.35, 57.17 -81.61, 36.59 285.64, 88.68 -94.22, -12.32 in-in in 9.0933 Saltbr-in 2.7584 HRD-in -81.82, -53.71 82.64, -7.07 in-in-out SNCiio in-out ActLoopNT-in 2.9118 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_ioio APE10-dihe-na -92.87, 112.89 APE9-dihe-na 127.84, 173.17 APE8-dihe-in -124.26, 98.89 APE8-rot-in 301.22 APE67-dihe-out -72.74, -55.92 -71.3, 155.26 APE12-dist-in 11.2956 APE11-dist-out 7.351 APE10-dist-in 7.4828 APE9-dist-out 8.252 T210V None None XRAY 2.65 0.247 0.29 A 335.0 294.0 0 28 28 0 [[53, 305]] 1.0 9d0p CAMK_PLK1_HUMAN CAMK 1.8e-78 269.4 1.0 256.0 256.0 193 194 195 197 199 82 101 105 173 175 174 176.0 233 221 216 215 214 213 212 211 210 131 Serine/threonine-protein kinase PLK1
OTHER PKMYT1 PMYT1_HUMAN 5VD0A Q99640 77 361 499.0 8X7:60401 Type1 Inactive DFGin 5.9624 14.3547 BLAminus -141.72, -158.67 59.97, 64.91 -92.35, 27.87 296.04, 115.37 -71.23, -25.83 in-in in 8.5853 Saltbr-in 2.96 HRD-in -71.7, -46.16 66.6, 10.57 in-in-out SNCiio in-out ActLoopNT-in 2.7983 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -105.71, 140.12 APE9-dihe-na -72.16, -168.22 APE8-dihe-in -65.78, 129.44 APE8-rot-na 186.07 APE67-dihe-in -65.63, -30.01 -61.48, -23.1 APE12-dist-in 7.8908 APE11-dist-out 6.3367 APE10-dist-out 9.1585 APE9-dist-in 3.4125 None None None XRAY 2.13 0.195 0.231 A 311.0 285.0 0 27 27 0 [[110, 359]] 1.0 5vd0 OTHER_PKMYT1_HUMAN STE 9.9e-39 139.4 1.0 255.0 255.0 250 251 252 254 256 139 157 161 230 232 231 233.0 288 277 272 271 270 269 268 267 266 188 Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
OTHER WEE1 WEE1_HUMAN 5V5YA P30291 293 569 646.0 8X7:601 Type1 Inactive DFGin 5.5525 12.9726 BLAminus -129.44, -172.09 52.13, 74.42 -91.12, 23.85 308.88, 2.25 -71.13, -17.8 in-in in 8.7114 Saltbr-in 2.6601 HRD-in -84.05, -47.91 67.9, 13.22 in-in-out SNCiio in-out ActLoopNT-in 2.9266 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -59.5, 118.21 APE9-dihe-na -83.22, -165.97 APE8-dihe-in -62.15, 119.68 APE8-rot-na 195.95 APE67-dihe-in -65.91, -27.53 -61.05, -24.64 APE12-dist-in 8.4221 APE11-dist-out 5.4391 APE10-dist-out 10.0042 APE9-dist-in 4.3431 None None None XRAY 1.9 0.173 0.215 A 289.0 259.0 18 24 24 0 [[299, 569]] 1.0 5v5y OTHER_WEE1_HUMAN OTHER 1.4e-37 135.5 1.0 258.0 258.0 462 463 464 466 468 328 346 350 423 425 424 426.0 499 486 481 480 479 478 477 476 475 377 Wee1-like protein kinase
OTHER WEE2 WEE2_HUMAN 5VDKA P0C1S8 204 486 567.0 8X7:501 Type1 Inactive DFGin 6.4749 12.7642 BLAminus -132.14, -176.96 59.49, 97.22 -108.31, 27.61 318.48, 177.21 -67.75, -13.32 in-in in 8.8786 Saltbr-in 2.3427 HRD-in -78.19, -59.39 74.05, 21.2 in-in-out SNCiio in-out ActLoopNT-in 3.0583 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -64.06, 140.87 APE9-dihe-na -77.49, -156.13 APE8-dihe-in -55.32, 132.04 APE8-rot-na 187.37 APE67-dihe-in -66.18, -15.37 -69.73, -32.22 APE12-dist-in 8.3338 APE11-dist-out 5.9297 APE10-dist-out 8.8777 APE9-dist-in 3.4176 None None None XRAY 2.7 0.228 0.284 A 297.0 260.0 23 24 24 0 [[72, 512]] 1.0 5vdk OTHER_WEE2_HUMAN NEK 9.3e-28 133.3 4.0 139.0 258.0 379 380 381 383 385 241 259 263 336 338 337 339.0 416 403 398 397 396 395 394 393 392 290 Wee1-like protein kinase 2

Ligand: 8X7 (Adavosertib)

Total number of chains: 5
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 5VD0A
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 PLK1 PLK1_HUMAN 8BJTA P53350 39 330 603.0 8X7:402 Type1 Inactive DFGin 5.7433 14.3115 BLAminus -146.49, -170.45 55.69, 70.04 -90.08, 22.34 281.62, 90.95 -60.02, -37.94 in-in in 9.2218 Saltbr-in 2.728 HRD-in -68.54, -47.7 72.42, -10.0 in-in-out SNCiio in-out ActLoopNT-in 2.9242 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iooo APE10-dihe-na -90.89, 99.31 APE9-dihe-na 143.06, 169.47 APE8-dihe-in -120.75, 101.21 APE8-rot-out 199.98 APE67-dihe-out -76.79, -55.69 -65.4, 158.12 APE12-dist-in 11.1597 APE11-dist-out 7.4033 APE10-dist-out 8.2363 APE9-dist-out 8.5627 None None None XRAY 2.188 0.203 0.255 A 294.0 292.0 0 28 28 0 [[53, 305]] 1.0 8bjt Homo sapiens CAMK_PLK1_HUMAN CAMK 1.1e-78 270.0 1.0 256.0 256.0 193 194 195 197 199 82 101 105 173 175 174 176.0 233 221 216 215 214 213 212 211 210 131 Serine/threonine-protein kinase PLK1
CAMK PLK1 PLK1_HUMAN 9D0PA P53350 37 330 603.0 8X7:401 Type1 Inactive DFGin 5.9321 14.4667 BLAminus -127.97, -167.66 73.35, 57.17 -81.61, 36.59 285.64, 88.68 -94.22, -12.32 in-in in 9.0933 Saltbr-in 2.7584 HRD-in -81.82, -53.71 82.64, -7.07 in-in-out SNCiio in-out ActLoopNT-in 2.9118 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_ioio APE10-dihe-na -92.87, 112.89 APE9-dihe-na 127.84, 173.17 APE8-dihe-in -124.26, 98.89 APE8-rot-in 301.22 APE67-dihe-out -72.74, -55.92 -71.3, 155.26 APE12-dist-in 11.2956 APE11-dist-out 7.351 APE10-dist-in 7.4828 APE9-dist-out 8.252 T210V None None XRAY 2.65 0.247 0.29 A 335.0 294.0 0 28 28 0 [[53, 305]] 1.0 9d0p Homo sapiens CAMK_PLK1_HUMAN CAMK 1.8e-78 269.4 1.0 256.0 256.0 193 194 195 197 199 82 101 105 173 175 174 176.0 233 221 216 215 214 213 212 211 210 131 Serine/threonine-protein kinase PLK1
OTHER PKMYT1 PMYT1_HUMAN 5VD0A Q99640 77 361 499.0 8X7:60401 Type1 Inactive DFGin 5.9624 14.3547 BLAminus -141.72, -158.67 59.97, 64.91 -92.35, 27.87 296.04, 115.37 -71.23, -25.83 in-in in 8.5853 Saltbr-in 2.96 HRD-in -71.7, -46.16 66.6, 10.57 in-in-out SNCiio in-out ActLoopNT-in 2.7983 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -105.71, 140.12 APE9-dihe-na -72.16, -168.22 APE8-dihe-in -65.78, 129.44 APE8-rot-na 186.07 APE67-dihe-in -65.63, -30.01 -61.48, -23.1 APE12-dist-in 7.8908 APE11-dist-out 6.3367 APE10-dist-out 9.1585 APE9-dist-in 3.4125 None None None XRAY 2.13 0.195 0.231 A 311.0 285.0 0 27 27 0 [[110, 359]] 1.0 5vd0 Homo sapiens OTHER_PKMYT1_HUMAN STE 9.9e-39 139.4 1.0 255.0 255.0 250 251 252 254 256 139 157 161 230 232 231 233.0 288 277 272 271 270 269 268 267 266 188 Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
OTHER WEE1 WEE1_HUMAN 5V5YA P30291 293 569 646.0 8X7:601 Type1 Inactive DFGin 5.5525 12.9726 BLAminus -129.44, -172.09 52.13, 74.42 -91.12, 23.85 308.88, 2.25 -71.13, -17.8 in-in in 8.7114 Saltbr-in 2.6601 HRD-in -84.05, -47.91 67.9, 13.22 in-in-out SNCiio in-out ActLoopNT-in 2.9266 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -59.5, 118.21 APE9-dihe-na -83.22, -165.97 APE8-dihe-in -62.15, 119.68 APE8-rot-na 195.95 APE67-dihe-in -65.91, -27.53 -61.05, -24.64 APE12-dist-in 8.4221 APE11-dist-out 5.4391 APE10-dist-out 10.0042 APE9-dist-in 4.3431 None None None XRAY 1.9 0.173 0.215 A 289.0 259.0 18 24 24 0 [[299, 569]] 1.0 5v5y Homo sapiens OTHER_WEE1_HUMAN OTHER 1.4e-37 135.5 1.0 258.0 258.0 462 463 464 466 468 328 346 350 423 425 424 426.0 499 486 481 480 479 478 477 476 475 377 Wee1-like protein kinase
OTHER WEE2 WEE2_HUMAN 5VDKA P0C1S8 204 486 567.0 8X7:501 Type1 Inactive DFGin 6.4749 12.7642 BLAminus -132.14, -176.96 59.49, 97.22 -108.31, 27.61 318.48, 177.21 -67.75, -13.32 in-in in 8.8786 Saltbr-in 2.3427 HRD-in -78.19, -59.39 74.05, 21.2 in-in-out SNCiio in-out ActLoopNT-in 3.0583 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -64.06, 140.87 APE9-dihe-na -77.49, -156.13 APE8-dihe-in -55.32, 132.04 APE8-rot-na 187.37 APE67-dihe-in -66.18, -15.37 -69.73, -32.22 APE12-dist-in 8.3338 APE11-dist-out 5.9297 APE10-dist-out 8.8777 APE9-dist-in 3.4176 None None None XRAY 2.7 0.228 0.284 A 297.0 260.0 23 24 24 0 [[72, 512]] 1.0 5vdk Homo sapiens OTHER_WEE2_HUMAN NEK 9.3e-28 133.3 4.0 139.0 258.0 379 380 381 383 385 241 259 263 336 338 337 339.0 416 403 398 397 396 395 394 393 392 290 Wee1-like protein kinase 2

Ligand: 8X7 (Adavosertib)

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