Ligand: DXR

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 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

Ligand: DXR

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 33.3% 3MA6B
DFGin BLBtrans 1 33.3% 4QOXA
None None 1 33.3% 3MA6A
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 CDPK4 CDPK4_PLAF7 4QOXA Q8IBS5 51 528 528.0 DXR:602 Type1 Inactive DFGin 10.4152 17.9629 BLBtrans -117.01, 172.49 56.66, 31.67 -80.38, 112.63 212.86, 113.17 93.26, 1.49 out-out out 14.7399 Saltbr-out 15.0711 HRD-in -80.58, -40.82 65.24, -27.81 out-out-out SNCooo out-out ActLoopNT-out 5.8663 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -121.74, -29.41 APE9-dihe-na -108.24, 63.91 APE8-dihe-out -119.89, -29.83 APE8-rot-in 311.27 APE67-dihe-in -64.33, -36.03 -68.53, -23.59 APE12-dist-none 999.0 APE11-dist-out 16.4239 APE10-dist-out 20.4175 APE9-dist-out 13.0031 None None None XRAY 2.748 0.206 0.266 A 537.0 462.0 6 27 22 5 [[70, 328]] 1.0 4qox Plasmodium falciparum CAMK_CDPK4_PLAF7 CAMK 6.2e-84 287.5 2.0 256.0 255.0 214 215 216 218 220 99 118 122 190 192 191 193.0 252 241 236 235 234 233 232 231 230 148 Calcium-dependent protein kinase 4
CAMK CDPK1 Q9BJF5_TOXGO 3MA6B Q9BJF5 46 312 507.0 DXR:60299 Type1 Inactive DFGin 6.3977 13.3973 BLBplus -123.9, 175.68 46.0, 77.59 -149.26, 153.33 62.01, 96.29 67.41, 11.84 out-none out 14.4 Saltbr-none 999.0 HRD-in -62.37, -53.65 66.07, -13.4 none-out-out SNCnoo out-out ActLoopNT-out 9.038 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -61.56, -41.58 APE9-dihe-na -54.4, -45.28 APE8-dihe-out -86.0, -15.96 APE8-rot-out 98.17 APE67-dihe-in -70.94, -31.26 -61.31, -32.04 APE12-dist-out 15.275 APE11-dist-out 18.1762 APE10-dist-out 21.786 APE9-dist-out 10.5297 None None None XRAY 2.5 0.257 0.286 B 298.0 266.0 1 27 27 0 [[51, 308]] 1.0 3ma6 Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 1e-90 309.5 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase
CAMK CDPK1 Q9BJF5_TOXGO 3MA6A Q9BJF5 46 313 507.0 DXR:60299 Type1 Inactive None 11.5316 17.8794 None -106.17, 162.53 67.61, 19.67 -66.85, 127.2 233.47, 108.27 85.37, -7.35 out-none out 14.9418 Saltbr-none 999.0 HRD-in -98.41, -54.91 76.31, -50.49 none-out-out SNCnoo out-out ActLoopNT-out 5.574 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -64.36, -35.65 APE9-dihe-na -62.98, -38.88 APE8-dihe-out -79.26, -29.17 APE8-rot-out 55.05 APE67-dihe-in -65.35, -33.51 -63.46, -33.64 APE12-dist-out 15.5906 APE11-dist-out 18.5322 APE10-dist-out 21.3939 APE9-dist-out 11.6276 None None None XRAY 2.5 0.257 0.286 A 298.0 267.0 1 27 26 1 [[51, 308]] 1.0 3ma6 Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 1e-90 309.5 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase

Ligand: DXR

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 33.3% 3MA6B
DFGin BLBtrans 1 33.3% 4QOXA
None None 1 33.3% 3MA6A
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 CDPK4 CDPK4_PLAF7 4QOXA Q8IBS5 51 528 528.0 DXR:602 Type1 Inactive DFGin 10.4152 17.9629 BLBtrans -117.01, 172.49 56.66, 31.67 -80.38, 112.63 212.86, 113.17 93.26, 1.49 out-out out 14.7399 Saltbr-out 15.0711 HRD-in -80.58, -40.82 65.24, -27.81 out-out-out SNCooo out-out ActLoopNT-out 5.8663 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nooo APE10-dihe-na -121.74, -29.41 APE9-dihe-na -108.24, 63.91 APE8-dihe-out -119.89, -29.83 APE8-rot-in 311.27 APE67-dihe-in -64.33, -36.03 -68.53, -23.59 APE12-dist-none 999.0 APE11-dist-out 16.4239 APE10-dist-out 20.4175 APE9-dist-out 13.0031 None None None XRAY 2.748 0.206 0.266 A 537.0 462.0 6 27 22 5 [[70, 328]] 1.0 4qox Plasmodium falciparum CAMK_CDPK4_PLAF7 CAMK 6.2e-84 287.5 2.0 256.0 255.0 214 215 216 218 220 99 118 122 190 192 191 193.0 252 241 236 235 234 233 232 231 230 148 Calcium-dependent protein kinase 4
CAMK CDPK1 Q9BJF5_TOXGO 3MA6B Q9BJF5 46 312 507.0 DXR:60299 Type1 Inactive DFGin 6.3977 13.3973 BLBplus -123.9, 175.68 46.0, 77.59 -149.26, 153.33 62.01, 96.29 67.41, 11.84 out-none out 14.4 Saltbr-none 999.0 HRD-in -62.37, -53.65 66.07, -13.4 none-out-out SNCnoo out-out ActLoopNT-out 9.038 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -61.56, -41.58 APE9-dihe-na -54.4, -45.28 APE8-dihe-out -86.0, -15.96 APE8-rot-out 98.17 APE67-dihe-in -70.94, -31.26 -61.31, -32.04 APE12-dist-out 15.275 APE11-dist-out 18.1762 APE10-dist-out 21.786 APE9-dist-out 10.5297 None None None XRAY 2.5 0.257 0.286 B 298.0 266.0 1 27 27 0 [[51, 308]] 1.0 3ma6 Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 1e-90 309.5 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase
CAMK CDPK1 Q9BJF5_TOXGO 3MA6A Q9BJF5 46 313 507.0 DXR:60299 Type1 Inactive None 11.5316 17.8794 None -106.17, 162.53 67.61, 19.67 -66.85, 127.2 233.47, 108.27 85.37, -7.35 out-none out 14.9418 Saltbr-none 999.0 HRD-in -98.41, -54.91 76.31, -50.49 none-out-out SNCnoo out-out ActLoopNT-out 5.574 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -64.36, -35.65 APE9-dihe-na -62.98, -38.88 APE8-dihe-out -79.26, -29.17 APE8-rot-out 55.05 APE67-dihe-in -65.35, -33.51 -63.46, -33.64 APE12-dist-out 15.5906 APE11-dist-out 18.5322 APE10-dist-out 21.3939 APE9-dist-out 11.6276 None None None XRAY 2.5 0.257 0.286 A 298.0 267.0 1 27 26 1 [[51, 308]] 1.0 3ma6 Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 1e-90 309.5 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase