G25764DO
has sequence: WURCS=2.0/5,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-e1_b2-c1_b4-d1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411523D 119123 0 0 1 0 0 0 0 0999 V2000 18.2000 10.9200 32.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9400 11.0300 31.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2200 12.4700 31.6300 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4500 13.1000 32.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1100 12.7400 30.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1800 13.8000 29.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7900 12.2100 29.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5700 11.2400 29.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8600 12.9300 28.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5100 12.1400 28.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 12.8900 28.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6100 11.8600 27.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3600 11.3600 29.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0500 14.1200 28.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2000 11.9900 29.4000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2000 10.9300 29.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5300 12.3400 30.0600 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4700 11.9100 29.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6100 12.1500 31.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4600 11.0800 31.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9900 12.5600 32.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7500 12.0700 31.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0100 13.6500 32.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9200 12.3100 33.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4900 12.8600 32.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7400 13.7700 29.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 13.8800 29.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2400 12.2500 27.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8600 11.1500 27.1400 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9300 10.7700 27.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8600 10.1000 27.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4000 8.8100 26.6500 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4800 8.5900 27.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4300 7.7200 26.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3700 7.8400 26.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9400 6.8000 26.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6100 7.4500 28.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7100 7.2700 28.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1400 9.0300 25.1000 C 0 0 2 0 0 0 0 0 0 0 0[cell cut: 8091 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-(1-2)-[beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-galactopyranose" 894.823 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 NAG "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE" "C8 H15 N O6" 221.208 NGA "D-saccharide, beta[cell cut: 18934 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 VVA A 2 1.43 LINK O6 VVA A 2 C1 0YB A 6 1.46 LINK O3 VVA A 2 C1 YLB A 3 1.46 LINK O4 YLB A 3 C1 0LA A 5 1.46 LINK O2 YLB A 3 C1 0fA A 4 1.46 ATOM 1 HO1 ROH 1 18.200 10.920 32.490 1.00 0.00 H ATOM 2 O1 ROH 1 18.940 11.030 31.880 1.00 0.00 O ATOM 3 C1 NGA 2 19.220 12.470 31.630 1.00 0.00 C ATOM 4 H1 NGA 2 18.450 13.100 32.080 1.00 0.00 H ATOM 5 C2 NGA 2 19.110 12.740 30.130 1.00 0.00 C ATOM 6 H2 NGA 2 19.180 13.800 29.900 1.00 0.00 H ATOM 7 N2 NGA 2 17.790 12.210 29.620 1.00 0.00 N ATOM 8 H2N NGA 2 17.570 11.240 29.810 1.00 0.00 H ATOM 9 C2N NGA 2 16.860 12.930 28.990 1.00 0.00 C ATOM 10 CME NGA 2 15.510 12.140 28.730 1.00 0.00 C ATOM 11 H3M NGA 2 14.720 12.890 28.640 1.00 0.00 H ATOM 12 H2M NGA 2 15.610 11.860 27.680 1.00 0.00 H ATOM 13 H1M NGA 2 15.360 11.360 29.480 1.00 0.00 H ATOM 14 O2N NGA 2 17.050 14.120 28.720 1.00 0.00 O ATOM 15 C3 NGA 2 20.200 11.990 29.400 1.00 0.00 C ATOM 16 H3 NGA 2 20.200 10.930 29.630 1.00 0.00 H ATOM 17 C4 NGA 2 21.530 12.340 30.060 1.00 0.00 C ATOM 18 H4 NGA 2 22.470 11.910 29.710 1.00 0.00 H ATOM 19 C5 NGA 2 21.610 12.150 31.540 1.00 0.00 C ATOM 20 H5 NGA 2 21.460 11.080 31.660 1.00 0.00 H ATOM 21 C6 NGA 2 22.990 12.560 32.070 1.00 0.00 C ATOM 22 H62 NGA 2 23.750 12.070 31.450 1.00 0.00 H ATOM 23 H61 NGA 2 23.010 13.650 32.000 1.00 0.00 H ATOM 24 O6 NGA 2 22.920 12.310 33.470 1.00 0.00 O ATOM 25 O5 NGA 2 20.490 12.860 32.230 1.00 0.00 O ATOM 26 O4 NGA 2 21.740 13.770 29.850 1.00 0.00 O ATOM 27 H4O NGA 2 22.290 13.880 29.070 1.00 0.00 H ATOM 28 O3 NGA 2 20.240 12.250 27.920 1.00 0.00 O ATOM 29 C1 GAL 3 19.860 11.150 27.140 1.00 0.00 C ATOM 30 H1 GAL 3 18.930 10.770 27.580 1.00 0.00 H ATOM 31 O5 GAL 3 20.860 10.100 27.190 1.00 0.00 O ATOM 32 C5 GAL 3 20.400 8.810 26.650 1.00 0.00 C ATOM 33 H5 GAL 3 19.480 8.590 27.190 1.00 0.00 H ATOM 34 C6 GAL 3 21.430 7.720 26.770 1.00 0.00 C ATOM 35 H62 GAL 3 22.370 7.840 26.230 1.00 0.00 H ATOM 36 H61 GAL 3 20.940 6.800 26.460 1.00 0.00 H ATOM 37 O6 GAL 3 21.610 7.450 28.220 1.00[cell cut: 8085 characters, first 2000 kept]