Ligand: 6QB (Ravoxertinib)

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 6OPHA
DFGin BLBtrans 1 33.3% 5K4JA
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 5K4JA P24941 1 298 298.0 6QB:60301 Type1 Inactive DFGin 10.014 17.968 BLBtrans -110.55, 159.76 77.32, 19.32 -71.27, 128.01 213.83, 116.19 78.16, -4.69 out-out out 14.877 Saltbr-out 14.447 HRD-in -79.41, -50.42 77.08, -15.7 out-out-out SNCooo out-out ActLoopNT-out 6.011 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -80.0, 132.4 APE9-dihe-na -74.94, 130.59 APE8-dihe-in -80.35, 134.59 APE8-rot-in 295.11 APE67-dihe-in -60.39, -27.31 -100.79, -3.91 APE12-dist-none 999.0 APE11-dist-out 16.727 APE10-dist-out 19.117 APE9-dist-out 10.736 None None None XRAY 1.6 0.18 0.223 A 299 281 17 0 0 10 [[4, 286]] 1.0 5k4j CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC MAPK1 MK01_HUMAN 5K4IA P28482 9 358 360.0 6QB:401 Type1 Inactive DFGin 6.968 15.583 BLAminus -128.06, 179.26 60.38, 84.38 -100.87, 21.25 280.37, 70.75 -56.14, -35.33 in-in in 9.149 Saltbr-in 2.659 HRD-in -74.77, -46.47 73.04, -3.13 in-in-out SNCiio in-out ActLoopNT-in 2.806 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 29.58 APE8-rot-in 317.14 APE67-dihe-out -63.26, -26.15 54.49, -60.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.76 0.183 0.232 A 352 336 14 0 0 14 [[25, 313]] 1.0 5k4i CMGC_MAPK1_HUMAN CMGC 8.5e-86 293.8 1 301 301 166 167 168 170 172 54 71 75 146 148 147 149 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_HUMAN 6OPHA P28482 11 358 360.0 6QB:60401 Type1 Active DFGin 6.798 15.059 BLAminus -130.04, 176.89 62.64, 86.8 -99.79, 23.69 285.42, 69.18 -59.71, -37.46 in-in in 9.105 Saltbr-in 2.7 HRD-in -73.41, -55.53 80.22, 3.3 in-in-in SNCiii in-in ActLoopNT-in 2.903 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -99.5, 167.6 APE9-dihe-na 71.49, 153.42 APE8-dihe-in -69.32, 138.47 APE8-rot-in 307.19 APE67-dihe-in -58.06, -18.68 -49.97, -53.1 APE12-dist-in 12.741 APE11-dist-in 11.122 APE10-dist-in 6.801 APE9-dist-in 3.081 None TPO185,PTR187 TPO185,PTR187 XRAY 2.4 0.195 0.243 A 354 348 0 0 0 0 [[25, 313]] 1.0 6oph CMGC_MAPK1_HUMAN CMGC 8.6e-86 293.8 1 301 301 166 167 168 170 172 54 71 75 146 148 147 149 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1

Ligand: 6QB (Ravoxertinib)

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 6OPHA
DFGin BLBtrans 1 33.3% 5K4JA
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 5K4JA P24941 1 298 298.0 6QB:60301 Type1 Inactive DFGin 10.014 17.968 BLBtrans -110.55, 159.76 77.32, 19.32 -71.27, 128.01 213.83, 116.19 78.16, -4.69 out-out out 14.877 Saltbr-out 14.447 HRD-in -79.41, -50.42 77.08, -15.7 out-out-out SNCooo out-out ActLoopNT-out 6.011 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -80.0, 132.4 APE9-dihe-na -74.94, 130.59 APE8-dihe-in -80.35, 134.59 APE8-rot-in 295.11 APE67-dihe-in -60.39, -27.31 -100.79, -3.91 APE12-dist-none 999.0 APE11-dist-out 16.727 APE10-dist-out 19.117 APE9-dist-out 10.736 None None None XRAY 1.6 0.18 0.223 A 299 281 17 0 0 10 [[4, 286]] 1.0 5k4j Homo sapiens CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC MAPK1 MK01_HUMAN 5K4IA P28482 9 358 360.0 6QB:401 Type1 Inactive DFGin 6.968 15.583 BLAminus -128.06, 179.26 60.38, 84.38 -100.87, 21.25 280.37, 70.75 -56.14, -35.33 in-in in 9.149 Saltbr-in 2.659 HRD-in -74.77, -46.47 73.04, -3.13 in-in-out SNCiio in-out ActLoopNT-in 2.806 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 29.58 APE8-rot-in 317.14 APE67-dihe-out -63.26, -26.15 54.49, -60.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.76 0.183 0.232 A 352 336 14 0 0 14 [[25, 313]] 1.0 5k4i Homo sapiens CMGC_MAPK1_HUMAN CMGC 8.5e-86 293.8 1 301 301 166 167 168 170 172 54 71 75 146 148 147 149 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_HUMAN 6OPHA P28482 11 358 360.0 6QB:60401 Type1 Active DFGin 6.798 15.059 BLAminus -130.04, 176.89 62.64, 86.8 -99.79, 23.69 285.42, 69.18 -59.71, -37.46 in-in in 9.105 Saltbr-in 2.7 HRD-in -73.41, -55.53 80.22, 3.3 in-in-in SNCiii in-in ActLoopNT-in 2.903 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -99.5, 167.6 APE9-dihe-na 71.49, 153.42 APE8-dihe-in -69.32, 138.47 APE8-rot-in 307.19 APE67-dihe-in -58.06, -18.68 -49.97, -53.1 APE12-dist-in 12.741 APE11-dist-in 11.122 APE10-dist-in 6.801 APE9-dist-in 3.081 None TPO185,PTR187 TPO185,PTR187 XRAY 2.4 0.195 0.243 A 354 348 0 0 0 0 [[25, 313]] 1.0 6oph Homo sapiens CMGC_MAPK1_HUMAN CMGC 8.6e-86 293.8 1 301 301 166 167 168 170 172 54 71 75 146 148 147 149 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1

Ligand: 6QB (Ravoxertinib)

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