Ligand: P48 (Milciclib)

Total number of chains: 4
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5VD1A
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
CMGC CDK2 CDK2_HUMAN 2WIHA P24941 1 298 298.0 P48:61299 Type1 Inactive DFGin 6.3232 15.1532 BLAminus -141.48, 174.43 62.06, 78.82 -96.32, 29.99 282.61, 69.45 -63.78, -17.45 in-in in 8.8992 Saltbr-in 2.7348 HRD-in -77.3, -59.72 79.63, -0.51 in-in-out SNCiio in-out ActLoopNT-in 2.8674 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -126.75, 155.26 APE9-dihe-na -53.97, 153.09 APE8-dihe-in -55.51, 151.53 APE8-rot-out 190.5 APE67-dihe-in -57.21, -28.57 -52.08, -46.97 APE12-dist-in 10.8564 APE11-dist-out 6.0999 APE10-dist-out 9.3083 APE9-dist-in 3.9462 None None None XRAY 2.5 0.215 0.25 A 309.0 298.0 0 28 28 0 [[4, 286]] 1.0 2wih CMGC_CDK2_HUMAN CMGC 7.3e-90 307.6 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 2WIHC P24941 1 298 298.0 P48:61299 Type1 Active DFGin 6.515 15.5019 BLAminus -139.53, 171.28 64.6, 87.79 -105.04, 25.11 279.58, 71.52 -58.59, -37.4 in-in in 8.856 Saltbr-in 2.9003 HRD-in -79.72, -52.5 76.18, -5.97 in-in-in SNCiii in-in ActLoopNT-in 2.9613 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.83, -70.3 APE9-dihe-na -57.72, 136.41 APE8-dihe-in -51.89, 139.14 APE8-rot-in 308.59 APE67-dihe-in -63.31, -27.96 -57.76, -40.98 APE12-dist-in 13.3621 APE11-dist-in 12.02 APE10-dist-in 7.0219 APE9-dist-in 3.6417 None None None XRAY 2.5 0.215 0.25 C 309.0 298.0 0 28 28 0 [[4, 286]] 1.0 2wih CMGC_CDK2_HUMAN CMGC 7.3e-90 307.6 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
OTHER PKMYT1 PMYT1_HUMAN 5VD1A Q99640 77 361 499.0 P48:60401 Type1 Inactive DFGin 5.9957 14.2647 BLAminus -132.04, -170.59 60.28, 78.86 -90.66, 20.44 292.47, 159.81 -62.59, -30.61 in-in in 8.6334 Saltbr-in 2.7181 HRD-in -67.73, -45.78 69.79, 0.1 in-in-out SNCiio in-out ActLoopNT-in 2.8576 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -100.09, 132.84 APE9-dihe-na -80.03, -175.61 APE8-dihe-in -61.66, 124.95 APE8-rot-na 190.14 APE67-dihe-in -61.12, -28.84 -63.37, -24.36 APE12-dist-in 10.4374 APE11-dist-out 4.9866 APE10-dist-out 9.0089 APE9-dist-in 3.5075 None None None XRAY 1.7 0.146 0.194 A 311.0 285.0 0 27 27 0 [[110, 359]] 1.0 5vd1 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 5VC6A P30291 293 571 646.0 P48:601 Type1 Inactive DFGin 6.757 12.3332 BLAminus -124.34, -177.76 56.26, 81.95 -92.8, 21.05 305.34, 6.74 -68.88, -15.34 in-in in 8.988 Saltbr-in 2.9211 HRD-in -78.66, -45.99 69.6, 12.42 in-in-out SNCiio in-out ActLoopNT-in 2.9469 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -61.1, 146.51 APE9-dihe-na -81.74, -169.83 APE8-dihe-in -50.11, 123.98 APE8-rot-na 196.06 APE67-dihe-in -65.92, -28.6 -55.65, -25.34 APE12-dist-in 8.3996 APE11-dist-out 5.6918 APE10-dist-out 9.0008 APE9-dist-in 3.5726 None None None XRAY 2.0 0.22 0.265 A 289.0 259.0 20 24 24 0 [[299, 569]] 1.0 5vc6 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

Ligand: P48 (Milciclib)

Total number of chains: 4
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 5VD1A
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
CMGC CDK2 CDK2_HUMAN 2WIHA P24941 1 298 298.0 P48:61299 Type1 Inactive DFGin 6.3232 15.1532 BLAminus -141.48, 174.43 62.06, 78.82 -96.32, 29.99 282.61, 69.45 -63.78, -17.45 in-in in 8.8992 Saltbr-in 2.7348 HRD-in -77.3, -59.72 79.63, -0.51 in-in-out SNCiio in-out ActLoopNT-in 2.8674 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -126.75, 155.26 APE9-dihe-na -53.97, 153.09 APE8-dihe-in -55.51, 151.53 APE8-rot-out 190.5 APE67-dihe-in -57.21, -28.57 -52.08, -46.97 APE12-dist-in 10.8564 APE11-dist-out 6.0999 APE10-dist-out 9.3083 APE9-dist-in 3.9462 None None None XRAY 2.5 0.215 0.25 A 309.0 298.0 0 28 28 0 [[4, 286]] 1.0 2wih Homo sapiens CMGC_CDK2_HUMAN CMGC 7.3e-90 307.6 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 2WIHC P24941 1 298 298.0 P48:61299 Type1 Active DFGin 6.515 15.5019 BLAminus -139.53, 171.28 64.6, 87.79 -105.04, 25.11 279.58, 71.52 -58.59, -37.4 in-in in 8.856 Saltbr-in 2.9003 HRD-in -79.72, -52.5 76.18, -5.97 in-in-in SNCiii in-in ActLoopNT-in 2.9613 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.83, -70.3 APE9-dihe-na -57.72, 136.41 APE8-dihe-in -51.89, 139.14 APE8-rot-in 308.59 APE67-dihe-in -63.31, -27.96 -57.76, -40.98 APE12-dist-in 13.3621 APE11-dist-in 12.02 APE10-dist-in 7.0219 APE9-dist-in 3.6417 None None None XRAY 2.5 0.215 0.25 C 309.0 298.0 0 28 28 0 [[4, 286]] 1.0 2wih Homo sapiens CMGC_CDK2_HUMAN CMGC 7.3e-90 307.6 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
OTHER PKMYT1 PMYT1_HUMAN 5VD1A Q99640 77 361 499.0 P48:60401 Type1 Inactive DFGin 5.9957 14.2647 BLAminus -132.04, -170.59 60.28, 78.86 -90.66, 20.44 292.47, 159.81 -62.59, -30.61 in-in in 8.6334 Saltbr-in 2.7181 HRD-in -67.73, -45.78 69.79, 0.1 in-in-out SNCiio in-out ActLoopNT-in 2.8576 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -100.09, 132.84 APE9-dihe-na -80.03, -175.61 APE8-dihe-in -61.66, 124.95 APE8-rot-na 190.14 APE67-dihe-in -61.12, -28.84 -63.37, -24.36 APE12-dist-in 10.4374 APE11-dist-out 4.9866 APE10-dist-out 9.0089 APE9-dist-in 3.5075 None None None XRAY 1.7 0.146 0.194 A 311.0 285.0 0 27 27 0 [[110, 359]] 1.0 5vd1 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 5VC6A P30291 293 571 646.0 P48:601 Type1 Inactive DFGin 6.757 12.3332 BLAminus -124.34, -177.76 56.26, 81.95 -92.8, 21.05 305.34, 6.74 -68.88, -15.34 in-in in 8.988 Saltbr-in 2.9211 HRD-in -78.66, -45.99 69.6, 12.42 in-in-out SNCiio in-out ActLoopNT-in 2.9469 ActLoopCT-out nonTYR APEdihe_aaiai APEdist_iooi APE10-dihe-na -61.1, 146.51 APE9-dihe-na -81.74, -169.83 APE8-dihe-in -50.11, 123.98 APE8-rot-na 196.06 APE67-dihe-in -65.92, -28.6 -55.65, -25.34 APE12-dist-in 8.3996 APE11-dist-out 5.6918 APE10-dist-out 9.0008 APE9-dist-in 3.5726 None None None XRAY 2.0 0.22 0.265 A 289.0 259.0 20 24 24 0 [[299, 569]] 1.0 5vc6 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

Ligand: P48 (Milciclib)

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