G59824VV
has sequence: WURCS=2.0/2,3,2/[a2122h-1a_1-5][a212h-1a_1-5]/1-2-2/a3-b1_b3-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412243D 58 60 0 0 1 0 0 0 0 0999 V2000 16.8400 15.0100 27.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9100 15.3700 26.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6800 15.9700 25.6900 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8600 15.2600 25.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7500 16.6800 24.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7000 16.9900 24.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1100 15.7900 23.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4800 16.3600 22.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 17.9500 24.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6300 17.5500 24.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1300 18.9000 25.3700 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1000 19.0800 25.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1400 18.2200 26.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1400 17.8800 27.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6500 18.9500 28.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5300 20.0100 27.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6300 18.6800 28.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5300 18.6600 29.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9300 18.5900 29.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3300 16.9700 26.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9400 20.1400 25.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8100 20.6900 24.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5200 18.7000 23.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3800 18.3300 21.9100 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3500 17.9300 22.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5700 19.5000 20.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3500 19.2600 20.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0700 20.5900 21.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7700 20.3400 22.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2900 19.8800 20.1700 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5500 20.2700 20.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6500 18.6500 19.4900 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2800 18.2700 18.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5100 17.4500 20.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2200 16.6300 19.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7700 17.6500 21.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7200 17.2700 21.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3000 19.0000 18.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3800 19.8600 18.5600 H 0 0 0 0 0 0 0 [cell cut: 4000 characters, first 2000 kept]
cif: data_MD_SNFG # _pdbx_database_status.entry_id MD_SNFG _pdbx_database_status.status_code . _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.recvd_initial_deposition_date ? _pdbx_database_status.status_code_nmr_data ? _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 branched man "alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-alpha-D-glucopyranose" 444.386 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? # _pdbx_nonpoly_scheme.asym_id B _pdbx_nonpoly_scheme.entity_id 2 _pdbx_nonpoly_scheme.mon_id ROH _pdbx_nonpoly_scheme.ndb_seq_num 1 _pdbx_nonpoly_scheme.pdb_seq_num 1 _pdbx_nonpoly_scheme.auth_seq_num 1 _pdbx_nonpoly_scheme.pdb_mon_id ROH _pdbx_nonpoly_scheme.auth_mon_id ROH _pdbx_nonpoly_scheme.pdb_strand_id ? _pdbx_nonpoly_scheme.pdb_ins_code . # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? XYS "D-saccharide, alpha linking" . alpha-D-xylopyranose "alpha-D-xylose; D-xylose; xylose; XYLOPYRANOSE" "C5 H10 O5" 150.130 # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_i[cell cut: 12276 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 3GA A 2 1.43 LINK O3 3GA A 2 C1 3XA A 3 1.46 LINK O3 3XA A 3 C1 0XA A 4 1.46 ATOM 1 HO1 ROH 1 16.840 15.010 27.010 1.00 0.00 H ATOM 2 O1 ROH 1 16.910 15.370 26.120 1.00 0.00 O ATOM 3 C1 GLC 2 15.680 15.970 25.690 1.00 0.00 C ATOM 4 H1 GLC 2 14.860 15.260 25.740 1.00 0.00 H ATOM 5 C2 GLC 2 15.750 16.680 24.340 1.00 0.00 C ATOM 6 H2 GLC 2 14.700 16.990 24.260 1.00 0.00 H ATOM 7 O2 GLC 2 16.110 15.790 23.300 1.00 0.00 O ATOM 8 H2O GLC 2 16.480 16.360 22.620 1.00 0.00 H ATOM 9 C3 GLC 2 16.620 17.950 24.320 1.00 0.00 C ATOM 10 H3 GLC 2 17.630 17.550 24.400 1.00 0.00 H ATOM 11 C4 GLC 2 16.130 18.900 25.370 1.00 0.00 C ATOM 12 H4 GLC 2 15.100 19.080 25.070 1.00 0.00 H ATOM 13 C5 GLC 2 16.140 18.220 26.760 1.00 0.00 C ATOM 14 H5 GLC 2 17.140 17.880 27.020 1.00 0.00 H ATOM 15 C6 GLC 2 15.650 18.950 28.030 1.00 0.00 C ATOM 16 H62 GLC 2 15.530 20.010 27.850 1.00 0.00 H ATOM 17 H61 GLC 2 14.630 18.680 28.300 1.00 0.00 H ATOM 18 O6 GLC 2 16.530 18.660 29.160 1.00 0.00 O ATOM 19 H6O GLC 2 15.930 18.590 29.900 1.00 0.00 H ATOM 20 O5 GLC 2 15.330 16.970 26.700 1.00 0.00 O ATOM 21 O4 GLC 2 16.940 20.140 25.520 1.00 0.00 O ATOM 22 H4O GLC 2 16.810 20.690 24.740 1.00 0.00 H ATOM 23 O3 GLC 2 16.520 18.700 23.020 1.00 0.00 O ATOM 24 C1 XYS 3 17.380 18.330 21.910 1.00 0.00 C ATOM 25 H1 XYS 3 18.350 17.930 22.200 1.00 0.00 H ATOM 26 C2 XYS 3 17.570 19.500 20.920 1.00 0.00 C ATOM 27 H2 XYS 3 18.350 19.260 20.200 1.00 0.00 H ATOM 28 O2 XYS 3 18.070 20.590 21.750 1.00 0.00 O ATOM 29 H2O XYS 3 18.770 20.340 22.360 1.00 0.00 H ATOM 30 C3 XYS 3 16.290 19.880 20.170 1.00 0.00 C ATOM 31 H3 XYS 3 15.550 20.270 20.870 1.00 0.00 H ATOM 32 C4 XYS 3 15.650 18.650 19.490 1.00 0.00 C ATOM 33 H4 XYS 3 16.280 18.270 18.690 1.00 0.00 H ATOM 34 C5 XYS 3 15.510 17.450 20.350 1.00 0.00 C ATOM 35 H5E XYS 3 15.220 16.630 19.690 1.00 0.00 H ATOM 36 H5A XYS 3 14.770 17.650 21.130 1.00 0.00 H ATOM 37 O5 XYS 3 16.720 17.270 21.150 1.00 0.00 O ATOM 38 O4 XYS 3 14.300 19.000 18.980 1.00 0.00 O ATOM[cell cut: 3920 characters, first 2000 kept]