data_UVC # _chem_comp.id UVC _chem_comp.name "URIDINE-2',3'-VANADATE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C9 H12 N2 O9 V" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2026-07-31 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 343.141 _chem_comp.one_letter_code ? _chem_comp.three_letter_code UVC _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details MetalCoord _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1RUV _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB _chem_comp.pdbx_comp_type "metal-containing ligand" _chem_comp.pdbx_pcm ? # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_backbone_atom_flag _chem_comp_atom.pdbx_n_terminal_atom_flag _chem_comp_atom.pdbx_c_terminal_atom_flag _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal UVC N1 N1 N 0 1 N N N N N N 31.798 13.516 9.280 -1.233 -0.564 0.287 N1 UVC 1 UVC C2 C2 C 0 1 N N N N N N 31.400 13.945 10.654 -2.263 -1.481 0.142 C2 UVC 2 UVC N3 N3 N 0 1 N N N N N N 32.401 13.643 11.482 -3.439 -1.138 0.767 N3 UVC 3 UVC C4 C4 C 0 1 N N N N N N 33.589 13.097 11.375 -3.694 0.003 1.502 C4 UVC 4 UVC C5 C5 C 0 1 N N N N N N 33.920 12.723 9.968 -2.584 0.904 1.604 C5 UVC 5 UVC C6 C6 C 0 1 N N N N N N 32.956 12.969 9.071 -1.423 0.595 1.006 C6 UVC 6 UVC O2 O2 O 0 1 N N N N N N 30.383 14.405 10.756 -2.156 -2.524 -0.485 O2 UVC 7 UVC O4 O4 O 0 1 N N N N N N 34.430 12.914 12.306 -4.808 0.169 2.004 O4 UVC 8 UVC "C1'" C1* C 0 1 N N R N N N 30.726 13.809 8.308 0.072 -0.864 -0.365 "C1'" UVC 9 UVC "C2'" C2* C 0 1 N N R N N N 30.860 15.233 7.759 0.351 -0.050 -1.630 "C2'" UVC 10 UVC "O2'" O2* O -1 1 N N N N N N 29.533 15.467 7.408 0.453 -0.881 -2.783 "O2'" UVC 11 UVC "C3'" C3* C 0 1 N N R N N N 31.710 14.972 6.559 1.643 0.693 -1.380 "C3'" UVC 12 UVC "C4'" C4* C 0 1 N N R N N N 31.362 13.617 6.044 2.264 -0.036 -0.174 "C4'" UVC 13 UVC "O3'" O3* O -1 1 N N N N N N 31.249 15.947 5.674 2.499 0.660 -2.493 "O3'" UVC 14 UVC "O4'" O4* O 0 1 N N N N N N 30.989 12.783 7.243 1.121 -0.564 0.540 "O4'" UVC 15 UVC "C5'" C5* C 0 1 N N N N N N 32.253 12.619 5.261 3.102 0.799 0.772 "C5'" UVC 16 UVC "O5'" O5* O 0 1 N N N N N N 33.474 12.659 5.929 3.589 0.017 1.849 "O5'" UVC 17 UVC V V V ? 1 N N N N N N 29.586 16.973 6.098 2.354 -1.115 -3.296 V UVC 18 UVC O1V O1V O -1 1 N N N N N N 29.579 18.447 7.093 3.191 -0.867 -4.652 O1V UVC 19 UVC O2V O2V O -2 1 N N N N N N 28.307 16.864 5.708 1.766 -2.935 -3.553 O2V UVC 20 UVC O3V O3V O -1 1 N N N N N N 30.360 17.782 4.547 1.038 -0.493 -4.622 O3V UVC 21 UVC HN3 HN3 H 0 1 N N N N N N 32.207 13.895 12.451 -4.091 -1.711 0.683 HN3 UVC 22 UVC H5 H5 H 0 1 N N N N N N 34.857 12.274 9.598 -2.671 1.704 2.086 H5 UVC 23 UVC H6 H6 H 0 1 N N N N N N 33.140 12.683 8.021 -0.703 1.200 1.080 H6 UVC 24 UVC "H1'" H1* H 0 1 N N N N N N 29.696 13.759 8.733 0.123 -1.823 -0.590 "H1'" UVC 25 UVC "H2'" H2* H 0 1 N N N N N N 31.277 16.062 8.376 -0.380 0.579 -1.806 "H2'" UVC 26 UVC "H3'" H3* H 0 1 N N N N N N 32.811 15.006 6.730 1.482 1.646 -1.224 "H3'" UVC 27 UVC "H4'" H4* H 0 1 N N N N N N 30.663 13.975 5.252 2.815 -0.790 -0.505 "H4'" UVC 28 UVC "H5'1" 1H5* H 0 0 N N N N N N 31.818 11.597 5.162 2.560 1.535 1.126 "H5'1" UVC 29 UVC "H5'2" 2H5* H 0 0 N N N N N N 32.322 12.827 4.167 3.859 1.184 0.284 "H5'2" UVC 30 UVC "HO5'" *HO5 H 0 0 N N N N N N 34.020 12.047 5.449 4.051 0.508 2.360 "HO5'" UVC 31 UVC HOV1 1HOV H 0 0 N N N N N N 29.604 19.163 6.469 3.189 -1.589 -5.130 HOV1 UVC 32 UVC HOV3 3HOV H 0 0 N N N N N N 30.385 18.498 3.923 0.832 -1.128 -5.176 HOV3 UVC 33 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal _chem_comp_bond.pdbx_metal_coordination_flag _chem_comp_bond.pdbx_metal_pi_flag UVC N1 C2 SING N N 1 N N UVC N1 C6 SING N N 2 N N UVC N1 "C1'" SING N N 3 N N UVC C2 N3 SING N N 4 N N UVC C2 O2 DOUB N N 5 N N UVC N3 C4 SING N N 6 N N UVC N3 HN3 SING N N 7 N N UVC C4 C5 SING N N 8 N N UVC C4 O4 DOUB N N 9 N N UVC C5 C6 DOUB N N 10 N N UVC C5 H5 SING N N 11 N N UVC C6 H6 SING N N 12 N N UVC "C1'" "C2'" SING N N 13 N N UVC "C1'" "O4'" SING N N 14 N N UVC "C1'" "H1'" SING N N 15 N N UVC "C2'" "O2'" SING N N 16 N N UVC "C2'" "C3'" SING N N 17 N N UVC "C2'" "H2'" SING N N 18 N N UVC "O2'" V SING N N 19 Y N UVC "C3'" "C4'" SING N N 20 N N UVC "C3'" "O3'" SING N N 21 N N UVC "C3'" "H3'" SING N N 22 N N UVC "C4'" "O4'" SING N N 23 N N UVC "C4'" "C5'" SING N N 24 N N UVC "C4'" "H4'" SING N N 25 N N UVC "O3'" V SING N N 26 Y N UVC "C5'" "O5'" SING N N 27 N N UVC "C5'" "H5'1" SING N N 28 N N UVC "C5'" "H5'2" SING N N 29 N N UVC "O5'" "HO5'" SING N N 30 N N UVC V O1V SING N N 31 Y N UVC V O2V DOUB N N 32 Y N UVC V O3V SING N N 33 Y N UVC O1V HOV1 SING N N 34 N N UVC O3V HOV3 SING N N 35 N N # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor UVC SMILES ACDLabs 10.04 "O=[V]1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O" UVC SMILES_CANONICAL CACTVS 3.341 "OC[C@H]1O[C@H]([C@@H]2O[V](O)(O)(=O)O[C@H]12)N3C=CC(=O)NC3=O" UVC SMILES CACTVS 3.341 "OC[CH]1O[CH]([CH]2O[V](O)(O)(=O)O[CH]12)N3C=CC(=O)NC3=O" UVC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O" UVC SMILES "OpenEye OEToolkits" 1.5.0 "C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)(O3)(O)O" UVC InChI InChI 1.03 "InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6-,7-,8-;;;;/m1..../s1" UVC InChIKey InChI 1.03 JSPAHXDHRUTBDP-ODQFIEKDSA-L # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier UVC "SYSTEMATIC NAME" ACDLabs 10.04 "dihydroxy(oxo)[uridinato(2-)-kappa~2~O~2'~,O~3'~]vanadium" UVC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "1-[(1R,5R,6R,8R)-3,3-dihydroxy-6-(hydroxymethyl)-3-oxo-2,4,7-trioxa-3$l^{6}-vanadabicyclo[3.3.0]octan-8-yl]pyrimidine-2,4-dione" # loop_ _pdbx_chem_comp_atom_coordination.geometry_id _pdbx_chem_comp_atom_coordination.comp_id _pdbx_chem_comp_atom_coordination.atom_id _pdbx_chem_comp_atom_coordination.number _pdbx_chem_comp_atom_coordination.geometry_calculated _pdbx_chem_comp_atom_coordination.geometry_generic _pdbx_chem_comp_atom_coordination.geometry_abbr _pdbx_chem_comp_atom_coordination.provenance _pdbx_chem_comp_atom_coordination.representative_entry_id 1 UVC V 5 "trigonal bipyramid" "trigonal bipyramidal" TBP FindGeo 6YO1 1 UVC V 5 trigonal-bipyramid "trigonal bipyramidal" TBP MetalCoord 6YO1 # _pdbx_chem_comp_atom_coordination_sphere.id 1 _pdbx_chem_comp_atom_coordination_sphere.geometry_id 1 _pdbx_chem_comp_atom_coordination_sphere.comp_id UVC _pdbx_chem_comp_atom_coordination_sphere.atom_id V _pdbx_chem_comp_atom_coordination_sphere.descriptor "@TBP{V,O,O,O,O,O}" _pdbx_chem_comp_atom_coordination_sphere.provenance MetalCoord _pdbx_chem_comp_atom_coordination_sphere.representative_entry_id 6YO1 # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site UVC "Create component" 1999-07-08 RCSB UVC "Modify descriptor" 2011-06-04 RCSB UVC "Other modification" 2026-07-17 RCSB UVC "Other modification" 2026-07-31 RCSB #