# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level PDP PDP 'PYRIDOXAL-5"-DIPHOSPHATE ' non-polymer 31 20 M # data_comp_PDP # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge PDP N1 N . 0.000 PDP C2 C . 0.000 PDP C2A C . 0.000 PDP C3 C . 0.000 PDP O3 O . 0.000 PDP C4 C . 0.000 PDP C4A C . 0.000 PDP O4A O . 0.000 PDP C5 C . 0.000 PDP C6 C . 0.000 PDP C5A C . 0.000 PDP O5A O . 0.000 PDP PA P . 0.000 PDP O1A O . 0.000 PDP O3A O . 0.000 PDP O2A O . 0.000 PDP PB P . 0.000 PDP O1B O . 0.000 PDP O2B O . 0.000 PDP O3B O . 0.000 PDP H2A1 H . 0.000 PDP H2A2 H . 0.000 PDP H2A3 H . 0.000 PDP HO3 H . 0.000 PDP H4A H . 0.000 PDP H5A1 H . 0.000 PDP H5A2 H . 0.000 PDP H6 H . 0.000 PDP HOA2 H . 0.000 PDP HOB2 H . 0.000 PDP HOB3 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type PDP N1 C2 double PDP N1 C6 single PDP C2 C2A single PDP C2 C3 single PDP C2A H2A1 single PDP C2A H2A2 single PDP C2A H2A3 single PDP C3 O3 single PDP C3 C4 double PDP O3 HO3 single PDP C4 C4A single PDP C4 C5 single PDP C4A O4A double PDP C4A H4A single PDP C5 C6 double PDP C5 C5A single PDP C6 H6 single PDP C5A O5A single PDP C5A H5A1 single PDP C5A H5A2 single PDP O5A PA single PDP PA O1A double PDP PA O2A single PDP PA O3A single PDP O3A PB single PDP O2A HOA2 single PDP PB O1B double PDP PB O2B single PDP PB O3B single PDP O2B HOB2 single PDP O3B HOB3 single