Ligand: B98

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 3FYKX
DFGin BLBtrans 1 50.0% 3FZ1A
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 MAPKAPK2 MAPK2_HUMAN 3FYKX P49137 45 364 400.0 B98:372 Type1 Inactive DFGin 4.3117 13.5072 BLAminus -134.88, -177.51 58.62, 91.5 -96.03, 29.83 280.37, 46.93 -66.4, -8.98 out-out out 10.3737 Saltbr-out 6.291 HRD-in -78.77, -40.47 62.21, 24.85 out-in-none SNCoin in-none ActLoopNT-in 2.8775 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 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.5 0.267 0.296 X 327.0 282.0 38 27 10 17 [[63, 325]] 1.0 3fyk CAMK_MAPKAPK2_HUMAN CAMK 3.5e-80 275.0 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CMGC CDK2 CDK2_HUMAN 3FZ1A P24941 1 298 298.0 B98:299 Type1 Inactive DFGin 10.0833 18.0373 BLBtrans -118.6, 152.18 64.15, 33.3 -73.55, 125.13 214.73, 110.59 83.76, -5.83 out-out out 15.1139 Saltbr-out 13.8906 HRD-in -78.55, -50.44 81.59, -23.72 out-out-out SNCooo out-out ActLoopNT-out 6.0613 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -73.64, 140.89 APE9-dihe-na -76.81, 120.94 APE8-dihe-in -67.51, 133.31 APE8-rot-out 180.19 APE67-dihe-in -56.59, -25.97 -101.64, -4.23 APE12-dist-out 20.1261 APE11-dist-out 17.0029 APE10-dist-out 18.9088 APE9-dist-out 10.5274 None None None XRAY 1.9 0.212 0.259 A 298.0 284.0 14 28 21 7 [[4, 286]] 1.0 3fz1 CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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

Ligand: B98

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 3FYKX
DFGin BLBtrans 1 50.0% 3FZ1A
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 MAPKAPK2 MAPK2_HUMAN 3FYKX P49137 45 364 400.0 B98:372 Type1 Inactive DFGin 4.3117 13.5072 BLAminus -134.88, -177.51 58.62, 91.5 -96.03, 29.83 280.37, 46.93 -66.4, -8.98 out-out out 10.3737 Saltbr-out 6.291 HRD-in -78.77, -40.47 62.21, 24.85 out-in-none SNCoin in-none ActLoopNT-in 2.8775 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 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.5 0.267 0.296 X 327.0 282.0 38 27 10 17 [[63, 325]] 1.0 3fyk Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 3.5e-80 275.0 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CMGC CDK2 CDK2_HUMAN 3FZ1A P24941 1 298 298.0 B98:299 Type1 Inactive DFGin 10.0833 18.0373 BLBtrans -118.6, 152.18 64.15, 33.3 -73.55, 125.13 214.73, 110.59 83.76, -5.83 out-out out 15.1139 Saltbr-out 13.8906 HRD-in -78.55, -50.44 81.59, -23.72 out-out-out SNCooo out-out ActLoopNT-out 6.0613 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -73.64, 140.89 APE9-dihe-na -76.81, 120.94 APE8-dihe-in -67.51, 133.31 APE8-rot-out 180.19 APE67-dihe-in -56.59, -25.97 -101.64, -4.23 APE12-dist-out 20.1261 APE11-dist-out 17.0029 APE10-dist-out 18.9088 APE9-dist-out 10.5274 None None None XRAY 1.9 0.212 0.259 A 298.0 284.0 14 28 21 7 [[4, 286]] 1.0 3fz1 Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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

Ligand: B98

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