G52012YH
has sequence: WURCS=2.0/2,2,1/[a2112h-1b_1-5][a1221m-1a_1-5]/1-2/a4-b1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412573D 44 45 0 0 1 0 0 0 0 0999 V2000 19.9200 19.5500 14.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4900 18.6900 14.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4900 18.9100 15.2900 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0200 19.8800 15.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1000 18.9500 16.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2100 19.3300 17.7600 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7800 20.2900 17.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0000 19.5800 19.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5100 18.6800 19.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2300 19.8100 19.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7900 20.7900 18.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2300 21.0000 19.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0000 18.4200 17.7300 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1900 18.8600 18.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3700 18.1800 16.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8600 19.1100 16.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2900 17.1700 16.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4600 16.4200 15.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 17.8600 15.3000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6500 16.8300 15.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6800 17.9400 14.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3200 17.6300 13.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4200 17.2000 18.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4700 16.7800 19.4700 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5300 17.2700 19.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0400 17.2800 20.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2100 16.4700 21.1500 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0400 16.6700 20.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7000 16.8800 22.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7100 16.5800 22.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0100 16.5800 23.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6900 17.9700 22.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8800 14.9500 21.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7400 14.3700 21.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8600 14.6900 22.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 13.8100 22.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 14.4000 19.9100 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2500 14.4100 19.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9300 13.0200 20.0800 O 0 0 0 0 0 0 0 [cell cut: 3033 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-L-fucopyranose-(1-4)-beta-D-galactopyranose" 326.297 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 FUC "L-saccharide, alpha linking" . alpha-L-fucopyranose "alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose" "C6 H12 O5" 164.156 GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "C6 H12 O6" 180.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag both _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id GAL _struct_conn.ptnr1_label_seq_id . _struct_conn.ptnr1_label_atom_id O4 _struct_conn.pdbx_ptnr1_label_alt_id ? _struct_conn.pdbx_ptnr1_PDB_ins_code ? _struct_co[cell cut: 11016 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4LB A 2 1.43 LINK O4 4LB A 2 C1 0fA A 3 1.46 ATOM 1 HO1 ROH 1 19.920 19.550 14.270 1.00 0.00 H ATOM 2 O1 ROH 1 19.490 18.690 14.260 1.00 0.00 O ATOM 3 C1 GAL 2 18.490 18.910 15.290 1.00 0.00 C ATOM 4 H1 GAL 2 18.020 19.880 15.100 1.00 0.00 H ATOM 5 O5 GAL 2 19.100 18.950 16.600 1.00 0.00 O ATOM 6 C5 GAL 2 18.210 19.330 17.760 1.00 0.00 C ATOM 7 H5 GAL 2 17.780 20.290 17.480 1.00 0.00 H ATOM 8 C6 GAL 2 19.000 19.580 19.050 1.00 0.00 C ATOM 9 H62 GAL 2 19.510 18.680 19.390 1.00 0.00 H ATOM 10 H61 GAL 2 18.230 19.810 19.780 1.00 0.00 H ATOM 11 O6 GAL 2 19.790 20.790 18.920 1.00 0.00 O ATOM 12 H6O GAL 2 20.230 21.000 19.750 1.00 0.00 H ATOM 13 C4 GAL 2 17.000 18.420 17.730 1.00 0.00 C ATOM 14 H4 GAL 2 16.190 18.860 18.310 1.00 0.00 H ATOM 15 C3 GAL 2 16.370 18.180 16.340 1.00 0.00 C ATOM 16 H3 GAL 2 15.860 19.110 16.070 1.00 0.00 H ATOM 17 O3 GAL 2 15.290 17.170 16.480 1.00 0.00 O ATOM 18 H3O GAL 2 15.460 16.420 15.900 1.00 0.00 H ATOM 19 C2 GAL 2 17.340 17.860 15.300 1.00 0.00 C ATOM 20 H2 GAL 2 17.650 16.830 15.470 1.00 0.00 H ATOM 21 O2 GAL 2 16.680 17.940 14.010 1.00 0.00 O ATOM 22 H2O GAL 2 17.320 17.630 13.360 1.00 0.00 H ATOM 23 O4 GAL 2 17.420 17.200 18.430 1.00 0.00 O ATOM 24 C1 FUC 3 16.470 16.780 19.470 1.00 0.00 C ATOM 25 H1 FUC 3 15.530 17.270 19.230 1.00 0.00 H ATOM 26 O5 FUC 3 17.040 17.280 20.690 1.00 0.00 O ATOM 27 C5 FUC 3 18.210 16.470 21.150 1.00 0.00 C ATOM 28 H5 FUC 3 19.040 16.670 20.480 1.00 0.00 H ATOM 29 C6 FUC 3 18.700 16.880 22.560 1.00 0.00 C ATOM 30 H61 FUC 3 19.710 16.580 22.820 1.00 0.00 H ATOM 31 H62 FUC 3 18.010 16.580 23.350 1.00 0.00 H ATOM 32 H63 FUC 3 18.690 17.970 22.540 1.00 0.00 H ATOM 33 C4 FUC 3 17.880 14.950 21.260 1.00 0.00 C ATOM 34 H4 FUC 3 18.740 14.370 21.570 1.00 0.00 H ATOM 35 O4 FUC 3 16.860 14.690 22.270 1.00 0.00 O ATOM 36 H4O FUC 3 16.500 13.810 22.110 1.00 0.00 H ATOM 37 C3 FUC 3 17.340 14.400 19.910 1.00 0.00 C ATOM 38 H3 FUC 3 18.250 14.410 19.300 1.00 0.00 H ATOM 39 O3 FUC 3 16.930 13.020 20.0[cell cut: 2955 characters, first 2000 kept]