data_ARA
# 
_chem_comp.id                                    ARA 
_chem_comp.name                                  alpha-L-arabinopyranose 
_chem_comp.type                                  "L-saccharide, alpha linking" 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C5 H10 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "alpha-L-arabinose; L-arabinose; arabinose" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        150.130 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ARA 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        6ABP 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
loop_
_pdbx_chem_comp_synonyms.ordinal 
_pdbx_chem_comp_synonyms.comp_id 
_pdbx_chem_comp_synonyms.name 
_pdbx_chem_comp_synonyms.provenance 
_pdbx_chem_comp_synonyms.type 
1 ARA alpha-L-arabinose PDB ? 
2 ARA L-arabinose       PDB ? 
3 ARA arabinose         PDB ? 
# 
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 
ARA C1  C1  C 0 1 N N R N N N 14.329 56.601 55.194 0.316  -0.253 1.356  C1  ARA 1  
ARA C2  C2  C 0 1 N N R N N N 12.945 57.140 54.819 -0.817 0.217  0.443  C2  ARA 2  
ARA C3  C3  C 0 1 N N S N N N 12.423 56.407 53.774 -0.716 -0.517 -0.900 C3  ARA 3  
ARA C4  C4  C 0 1 N N S N N N 13.290 56.443 52.448 0.697  -0.321 -1.458 C4  ARA 4  
ARA C5  C5  C 0 1 N N N N N N 14.757 56.083 52.815 1.716  -0.751 -0.401 C5  ARA 5  
ARA O1  O1  O 0 1 N Y N N N N 14.823 57.356 56.207 0.210  0.403  2.621  O1  ARA 6  
ARA O2  O2  O 0 1 N N N N N N 12.090 56.889 55.958 -2.076 -0.073 1.055  O2  ARA 7  
ARA O3  O3  O 0 1 N N N N N N 11.062 56.774 53.345 -1.677 0.018  -1.813 O3  ARA 8  
ARA O4  O4  O 0 1 N N N N N N 13.357 57.781 51.887 0.896  1.056  -1.782 O4  ARA 9  
ARA O5  O5  O 0 1 N N N N N N 15.135 56.838 54.055 1.575  0.058  0.764  O5  ARA 10 
ARA H1  H1  H 0 1 N N N N N N 14.298 55.528 55.496 0.241  -1.331 1.501  H1  ARA 11 
ARA H2  H2  H 0 1 N N N N N N 13.012 58.217 54.539 -0.731 1.291  0.278  H2  ARA 12 
ARA H3  H3  H 0 1 N N N N N N 12.420 55.394 54.240 -0.907 -1.580 -0.751 H3  ARA 13 
ARA H4  H4  H 0 1 N N N N N N 12.821 55.737 51.722 0.823  -0.928 -2.354 H4  ARA 14 
ARA H51 H51 H 0 1 N N N N N N 14.915 54.984 52.917 1.548  -1.795 -0.139 H51 ARA 15 
ARA H52 H52 H 0 1 N N N N N N 15.465 56.261 51.972 2.724  -0.637 -0.801 H52 ARA 16 
ARA HO1 HO1 H 0 1 N Y N N N N 15.681 57.021 56.439 0.938  0.077  3.167  HO1 ARA 17 
ARA HO2 HO2 H 0 1 N Y N N N N 11.231 57.223 55.725 -2.094 0.402  1.896  HO2 ARA 18 
ARA HO3 HO3 H 0 1 N Y N N N N 10.702 56.269 52.625 -1.578 -0.471 -2.641 HO3 ARA 19 
ARA HO4 HO4 H 0 1 N Y N N N N 13.876 57.802 51.092 1.796  1.135  -2.126 HO4 ARA 20 
# 
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 
ARA C1 C2  SING N N 1  
ARA C1 O1  SING N N 2  
ARA C1 O5  SING N N 3  
ARA C1 H1  SING N N 4  
ARA C2 C3  SING N N 5  
ARA C2 O2  SING N N 6  
ARA C2 H2  SING N N 7  
ARA C3 C4  SING N N 8  
ARA C3 O3  SING N N 9  
ARA C3 H3  SING N N 10 
ARA C4 C5  SING N N 11 
ARA C4 O4  SING N N 12 
ARA C4 H4  SING N N 13 
ARA C5 O5  SING N N 14 
ARA C5 H51 SING N N 15 
ARA C5 H52 SING N N 16 
ARA O1 HO1 SING N N 17 
ARA O2 HO2 SING N N 18 
ARA O3 HO3 SING N N 19 
ARA O4 HO4 SING N N 20 
# 
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 
ARA SMILES           ACDLabs              10.04 "OC1C(O)COC(O)C1O"                                                      
ARA SMILES_CANONICAL CACTVS               3.341 "O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O"                                     
ARA SMILES           CACTVS               3.341 "O[CH]1CO[CH](O)[CH](O)[CH]1O"                                          
ARA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O"                               
ARA SMILES           "OpenEye OEToolkits" 1.5.0 "C1C(C(C(C(O1)O)O)O)O"                                                  
ARA InChI            InChI                1.03  "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1" 
ARA InChIKey         InChI                1.03  SRBFZHDQGSBBOR-QMKXCQHVSA-N                                             
# 
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 
ARA "SYSTEMATIC NAME"                     ACDLabs              10.04 alpha-L-arabinopyranose              
ARA "SYSTEMATIC NAME"                     "OpenEye OEToolkits" 1.5.0 "(2R,3R,4S,5S)-oxane-2,3,4,5-tetrol" 
ARA "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML                 1.0   LArapa                               
ARA "COMMON NAME"                         GMML                 1.0   a-L-arabinopyranose                  
ARA "IUPAC CARBOHYDRATE SYMBOL"           PDB-CARE             1.0   a-L-Arap                             
ARA "SNFG CARBOHYDRATE SYMBOL"            GMML                 1.0   Ara                                  
# 
loop_
_pdbx_chem_comp_feature.comp_id 
_pdbx_chem_comp_feature.type 
_pdbx_chem_comp_feature.value 
_pdbx_chem_comp_feature.source 
_pdbx_chem_comp_feature.support 
ARA "CARBOHYDRATE ISOMER"                 L        PDB ? 
ARA "CARBOHYDRATE RING"                   pyranose PDB ? 
ARA "CARBOHYDRATE ANOMER"                 alpha    PDB ? 
ARA "CARBOHYDRATE PRIMARY CARBONYL GROUP" aldose   PDB ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
ARA "Create component"   1999-07-08 RCSB 
ARA "Modify descriptor"  2011-06-04 RCSB 
ARA "Other modification" 2019-08-12 RCSB 
ARA "Other modification" 2019-12-19 RCSB 
ARA "Other modification" 2020-07-03 RCSB 
ARA "Modify name"        2020-07-17 RCSB 
ARA "Modify synonyms"    2020-07-17 RCSB 
ARA "Modify PCM"         2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            ARA 
_pdbx_chem_comp_pcm.modified_residue_id                THR 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           Carbohydrate 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C1 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   OG1 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
