Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Derived calculations / Non-polymer description / Refinement description / Structure summary Category: atom_site / chem_comp ...atom_site / chem_comp / computing / database_PDB_caveat / diffrn / entity / pdbx_entity_instance_feature / pdbx_entity_nonpoly / pdbx_entry_details / pdbx_nonpoly_scheme / pdbx_struct_assembly_prop / pdbx_validate_chiral / refine / refine_hist / refine_ls_restr / refine_ls_shell / reflns / reflns_shell / software / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.type_symbol / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _diffrn.pdbx_serial_crystal_experiment / _entity.pdbx_description / _pdbx_entity_nonpoly.comp_id / _pdbx_entity_nonpoly.name / _pdbx_nonpoly_scheme.auth_mon_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_nonpoly_scheme.mon_id / _pdbx_nonpoly_scheme.pdb_mon_id / _pdbx_struct_assembly_prop.value / _refine.B_iso_max / _refine.B_iso_mean / _refine.B_iso_min / _refine.ls_R_factor_R_free / _refine.ls_R_factor_R_work / _refine.ls_R_factor_obs / _refine.ls_d_res_low / _refine.ls_percent_reflns_obs / _refine.pdbx_starting_model / _refine.pdbx_stereochemistry_target_values / _refine.solvent_model_details / _refine_hist.cycle_id / _refine_hist.d_res_low / _refine_hist.number_atoms_total / _refine_hist.pdbx_B_iso_mean_ligand / _refine_hist.pdbx_B_iso_mean_solvent / _refine_hist.pdbx_number_atoms_ligand / _refine_hist.pdbx_number_residues_total / _reflns.d_resolution_low / _reflns.pdbx_Rpim_I_all / _reflns.pdbx_netI_over_sigmaI / _reflns_shell.meanI_over_sigI_obs / _reflns_shell.pdbx_Rpim_I_all / _software.version / _struct_site.details / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_num_residues Description: Chirality error Details: I've amended a mistake done in the building and description of Thrombin ligand chirality (peptide-like macrocycle FE8 in the first deposition). Actually chirality of C33 and C5 were wrongly ...Details: I've amended a mistake done in the building and description of Thrombin ligand chirality (peptide-like macrocycle FE8 in the first deposition). Actually chirality of C33 and C5 were wrongly assigned. Indeed the actual ligand that has been synthetized and ever used contains only L-Arg and L-Cys in the cycle and it was wrongly built in my previous refinement and deposition. The ligand has been renamed here FE9 by me not to confuse it with the deposited one in the previous submission (and currently present in the CCD). But FE8 with wrong chirality doesn't exist/has never been used in this study. Best regards Provider: author / Type: Coordinate replacement
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