Ligand: XZN

Total number of chains: 3
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5VCZA
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
OTHER PKMYT1 PMYT1_HUMAN 5VCZA Q99640 78 361 499.0 XZN:60401 Type1 Inactive DFGin 6.2253 14.3625 BLAminus -132.39, -165.29 58.87, 84.05 -99.27, 22.38 300.75, 125.52 -66.24, -24.02 in-in in 8.7519 Saltbr-in 2.8196 HRD-in -66.5, -47.19 72.05, -1.84 in-in-out SNCiio in-out ActLoopNT-in 2.8645 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -98.79, 140.56 APE9-dihe-na -80.46, -177.58 APE8-dihe-in -60.96, 126.51 APE8-rot-na 185.51 APE67-dihe-in -59.29, -30.37 -61.35, -26.02 APE12-dist-in 8.0314 APE11-dist-out 5.6714 APE10-dist-out 9.0531 APE9-dist-in 3.5722 None None None XRAY 1.5 0.148 0.181 A 311.0 284.0 0 27 27 0 [[110, 359]] 1.0 5vcz 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 5VC4A P30291 293 571 646.0 XZN:601 Type1 Inactive DFGin 6.8685 13.2597 BLAminus -128.24, -175.96 53.99, 85.77 -95.76, 27.4 302.66, 11.0 -68.66, -12.8 in-out in 9.3055 Saltbr-out 7.0766 HRD-in -75.25, -47.07 67.81, 14.97 out-in-out SNCoio in-out ActLoopNT-in 2.8783 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -60.88, 143.97 APE9-dihe-na -91.58, -162.44 APE8-dihe-in -53.77, 129.16 APE8-rot-na 197.59 APE67-dihe-in -70.28, -22.97 -67.17, -20.66 APE12-dist-in 8.6491 APE11-dist-out 5.7203 APE10-dist-out 9.169 APE9-dist-in 3.7 None None None XRAY 2.1 0.198 0.241 A 289.0 261.0 18 24 24 0 [[299, 569]] 1.0 5vc4 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
STE STK10 STK10_HUMAN 4BC6A O94804 24 316 968.0 XZN:1317 Type1 Inactive DFGin 6.7017 16.554 BLAminus -115.1, 176.1 50.46, 84.66 -96.24, 32.79 282.83, 79.72 -68.79, -52.65 in-out in 9.8533 Saltbr-out 6.308 HRD-in -70.14, -48.74 64.67, 6.49 out-out-none SNCoon out-none ActLoopNT-out 5.7941 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -63.41, -27.46 999.0, 17.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.2 0.214 0.254 A 293.0 285.0 8 28 20 8 [[36, 294]] 1.0 4bc6 STE_STK10_HUMAN STE 1.8e-94 321.8 1.0 257.0 257.0 174 175 176 178 180 65 81 85 154 156 155 157.0 219 202 197 196 195 194 193 192 191 111 Serine/threonine-protein kinase 10

Ligand: XZN

Total number of chains: 3
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5VCZA
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
OTHER PKMYT1 PMYT1_HUMAN 5VCZA Q99640 78 361 499.0 XZN:60401 Type1 Inactive DFGin 6.2253 14.3625 BLAminus -132.39, -165.29 58.87, 84.05 -99.27, 22.38 300.75, 125.52 -66.24, -24.02 in-in in 8.7519 Saltbr-in 2.8196 HRD-in -66.5, -47.19 72.05, -1.84 in-in-out SNCiio in-out ActLoopNT-in 2.8645 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -98.79, 140.56 APE9-dihe-na -80.46, -177.58 APE8-dihe-in -60.96, 126.51 APE8-rot-na 185.51 APE67-dihe-in -59.29, -30.37 -61.35, -26.02 APE12-dist-in 8.0314 APE11-dist-out 5.6714 APE10-dist-out 9.0531 APE9-dist-in 3.5722 None None None XRAY 1.5 0.148 0.181 A 311.0 284.0 0 27 27 0 [[110, 359]] 1.0 5vcz 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 5VC4A P30291 293 571 646.0 XZN:601 Type1 Inactive DFGin 6.8685 13.2597 BLAminus -128.24, -175.96 53.99, 85.77 -95.76, 27.4 302.66, 11.0 -68.66, -12.8 in-out in 9.3055 Saltbr-out 7.0766 HRD-in -75.25, -47.07 67.81, 14.97 out-in-out SNCoio in-out ActLoopNT-in 2.8783 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -60.88, 143.97 APE9-dihe-na -91.58, -162.44 APE8-dihe-in -53.77, 129.16 APE8-rot-na 197.59 APE67-dihe-in -70.28, -22.97 -67.17, -20.66 APE12-dist-in 8.6491 APE11-dist-out 5.7203 APE10-dist-out 9.169 APE9-dist-in 3.7 None None None XRAY 2.1 0.198 0.241 A 289.0 261.0 18 24 24 0 [[299, 569]] 1.0 5vc4 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
STE STK10 STK10_HUMAN 4BC6A O94804 24 316 968.0 XZN:1317 Type1 Inactive DFGin 6.7017 16.554 BLAminus -115.1, 176.1 50.46, 84.66 -96.24, 32.79 282.83, 79.72 -68.79, -52.65 in-out in 9.8533 Saltbr-out 6.308 HRD-in -70.14, -48.74 64.67, 6.49 out-out-none SNCoon out-none ActLoopNT-out 5.7941 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -63.41, -27.46 999.0, 17.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.2 0.214 0.254 A 293.0 285.0 8 28 20 8 [[36, 294]] 1.0 4bc6 Homo sapiens STE_STK10_HUMAN STE 1.8e-94 321.8 1.0 257.0 257.0 174 175 176 178 180 65 81 85 154 156 155 157.0 219 202 197 196 195 194 193 192 191 111 Serine/threonine-protein kinase 10

Ligand: XZN

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