G71174VV
has sequence: WURCS=2.0/4,7,6/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-3-2/a3-b1_a6-c1_c3-d1_c4-e1_e3-f1_f3-g1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412413D 167173 0 0 1 0 0 0 0 0999 V2000 9.6500 23.5400 19.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5800 23.6200 19.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 22.3000 19.0800 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2500 21.6000 18.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 21.8500 20.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8700 20.6900 20.0400 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1700 19.8600 20.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8000 20.6300 21.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5100 19.8000 21.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 20.6200 22.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7600 21.8300 21.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 20.6700 18.6400 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9400 19.6900 18.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6700 21.6600 18.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8300 22.0200 19.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 21.1100 17.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9200 20.2600 17.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9100 22.3700 17.7500 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6100 23.2100 17.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 22.7500 16.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 22.1600 16.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 23.9900 16.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 24.7100 16.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 24.3700 15.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 25.4500 15.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 23.9800 14.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8900 24.1700 15.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 21.0900 16.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 20.2200 15.2300 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7200 20.1400 15.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3400 18.9600 15.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 17.9900 14.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7300 18.1500 14.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2100 16.5600 14.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2800 16.4600 15.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8400 15.9500 14.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4100 16.2700 16.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6800 15.4200 16.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5100 18.2700 13.1300 C 0 0 2 0 0 0 0 0 0 [cell cut: 11431 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 ;beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose ; 1260.157 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-[cell cut: 22853 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 VVB A 2 1.43 LINK O6 VVB A 2 C1 WYB A 4 1.46 LINK O3 VVB A 2 C1 0LB A 3 1.46 LINK O4 WYB A 4 C1 3LB A 6 1.46 LINK O3 WYB A 4 C1 0fA A 5 1.46 LINK O3 3LB A 6 C1 3YB A 7 1.46 LINK O3 3YB A 7 C1 0LB A 8 1.46 ATOM 1 HO1 ROH 1 9.650 23.540 19.650 1.00 0.00 H ATOM 2 O1 ROH 1 10.580 23.620 19.440 1.00 0.00 O ATOM 3 C1 NGA 2 11.080 22.300 19.080 1.00 0.00 C ATOM 4 H1 NGA 2 10.250 21.600 18.980 1.00 0.00 H ATOM 5 O5 NGA 2 11.960 21.850 20.170 1.00 0.00 O ATOM 6 C5 NGA 2 12.870 20.690 20.040 1.00 0.00 C ATOM 7 H5 NGA 2 12.170 19.860 20.020 1.00 0.00 H ATOM 8 C6 NGA 2 13.800 20.630 21.260 1.00 0.00 C ATOM 9 H62 NGA 2 14.510 19.800 21.200 1.00 0.00 H ATOM 10 H61 NGA 2 13.170 20.620 22.150 1.00 0.00 H ATOM 11 O6 NGA 2 14.760 21.830 21.320 1.00 0.00 O ATOM 12 C4 NGA 2 13.580 20.670 18.640 1.00 0.00 C ATOM 13 H4 NGA 2 13.940 19.690 18.330 1.00 0.00 H ATOM 14 O4 NGA 2 14.670 21.660 18.660 1.00 0.00 O ATOM 15 H4O NGA 2 14.830 22.020 19.540 1.00 0.00 H ATOM 16 C3 NGA 2 12.600 21.110 17.550 1.00 0.00 C ATOM 17 H3 NGA 2 11.920 20.260 17.480 1.00 0.00 H ATOM 18 C2 NGA 2 11.910 22.370 17.750 1.00 0.00 C ATOM 19 H2 NGA 2 12.610 23.210 17.790 1.00 0.00 H ATOM 20 N2 NGA 2 11.080 22.750 16.620 1.00 0.00 N ATOM 21 H2N NGA 2 10.300 22.160 16.370 1.00 0.00 H ATOM 22 C2N NGA 2 11.100 23.990 16.030 1.00 0.00 C ATOM 23 O2N NGA 2 12.050 24.710 16.070 1.00 0.00 O ATOM 24 CME NGA 2 9.850 24.370 15.210 1.00 0.00 C ATOM 25 H3M NGA 2 9.940 25.450 15.060 1.00 0.00 H ATOM 26 H2M NGA 2 9.840 23.980 14.190 1.00 0.00 H ATOM 27 H1M NGA 2 8.890 24.170 15.670 1.00 0.00 H ATOM 28 O3 NGA 2 13.350 21.090 16.290 1.00 0.00 O ATOM 29 C1 GAL 3 12.800 20.220 15.230 1.00 0.00 C ATOM 30 H1 GAL 3 11.720 20.140 15.170 1.00 0.00 H ATOM 31 O5 GAL 3 13.340 18.960 15.440 1.00 0.00 O ATOM 32 C5 GAL 3 12.810 17.990 14.480 1.00 0.00 C ATOM 33 H5 GAL 3 11.730 18.150 14.480 1.00 0.00 H ATOM 34 C6 GAL 3 13.210 16.560 14.890 1.00 0.00 C ATOM 35 H62 GAL 3 14.280 16.460 15.070 1.00 0.00 H ATOM 36 H61 GAL 3 12.840 15.[cell cut: 11577 characters, first 2000 kept]