G67740CH
has sequence: WURCS=2.0/5,6,5/[a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5-4/a3-b1_b3-c1_b4-f1_c2-d1_c3-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411523D 139144 0 0 1 0 0 0 0 0999 V2000 18.2000 11.9400 22.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0700 12.3800 22.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1300 11.4900 21.3800 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5100 10.4700 21.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8200 11.8100 19.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2300 11.0400 19.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0800 11.9800 19.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7400 12.3900 19.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0300 13.1100 19.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7400 13.9000 20.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8000 13.1100 20.7800 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3000 14.0800 20.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2200 12.7800 22.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9000 13.5700 22.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 12.8400 23.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6100 13.8500 23.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2500 12.0800 22.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4200 12.5600 24.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1800 13.1300 24.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 11.4900 22.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8100 12.2500 20.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 12.5400 19.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4900 13.3300 18.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8900 14.6000 17.9000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9800 14.6500 17.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2400 15.7900 18.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8600 17.0000 17.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9300 16.8800 18.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4700 18.2100 18.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9800 19.1400 18.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7300 17.9300 19.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0500 18.3200 18.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 17.7700 19.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4200 17.1500 16.4100 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3500 17.2700 16.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 18.3300 15.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0300 15.8500 15.8000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1100 15.9400 15.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5500 14.5700 16.4100 C 0 0 1 0 0 0 0[cell cut: 9482 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-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose" 837.771 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? 3 non-polymer syn 2-acetamido-2-deoxy-beta-D-galactopyranose 221.208 1 ? ? ? ? # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 ROH 1 1 1 ROH ROH ? . C 3 NGA 1 6 6 NGA NGA ? . # 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-acetamid[cell cut: 20339 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 3LA A 2 1.43 LINK O3 3LA A 2 C1 WYB A 3 1.46 LINK O4 WYB A 3 C1 0fA A 7 1.46 LINK O3 WYB A 3 C1 ZLB A 4 1.46 LINK O3 ZLB A 4 C1 0VA A 6 1.46 LINK O2 ZLB A 4 C1 0fA A 5 1.46 ATOM 1 HO1 ROH 1 18.200 11.940 22.880 1.00 0.00 H ATOM 2 O1 ROH 1 18.070 12.380 22.030 1.00 0.00 O ATOM 3 C1 GAL 2 17.130 11.490 21.380 1.00 0.00 C ATOM 4 H1 GAL 2 17.510 10.470 21.380 1.00 0.00 H ATOM 5 C2 GAL 2 16.820 11.810 19.880 1.00 0.00 C ATOM 6 H2 GAL 2 16.230 11.040 19.370 1.00 0.00 H ATOM 7 O2 GAL 2 18.080 11.980 19.060 1.00 0.00 O ATOM 8 H2O GAL 2 18.740 12.390 19.620 1.00 0.00 H ATOM 9 C3 GAL 2 16.030 13.110 19.850 1.00 0.00 C ATOM 10 H3 GAL 2 16.740 13.900 20.090 1.00 0.00 H ATOM 11 C4 GAL 2 14.800 13.110 20.780 1.00 0.00 C ATOM 12 H4 GAL 2 14.300 14.080 20.720 1.00 0.00 H ATOM 13 C5 GAL 2 15.220 12.780 22.230 1.00 0.00 C ATOM 14 H5 GAL 2 15.900 13.570 22.550 1.00 0.00 H ATOM 15 C6 GAL 2 14.000 12.840 23.180 1.00 0.00 C ATOM 16 H62 GAL 2 13.610 13.850 23.160 1.00 0.00 H ATOM 17 H61 GAL 2 13.250 12.080 22.930 1.00 0.00 H ATOM 18 O6 GAL 2 14.420 12.560 24.480 1.00 0.00 O ATOM 19 H6O GAL 2 15.180 13.130 24.640 1.00 0.00 H ATOM 20 O5 GAL 2 15.950 11.490 22.170 1.00 0.00 O ATOM 21 O4 GAL 2 13.810 12.250 20.320 1.00 0.00 O ATOM 22 H4O GAL 2 13.440 12.540 19.490 1.00 0.00 H ATOM 23 O3 GAL 2 15.490 13.330 18.490 1.00 0.00 O ATOM 24 C1 NAG 3 15.890 14.600 17.900 1.00 0.00 C ATOM 25 H1 NAG 3 16.980 14.650 17.940 1.00 0.00 H ATOM 26 O5 NAG 3 15.240 15.790 18.440 1.00 0.00 O ATOM 27 C5 NAG 3 15.860 17.000 17.920 1.00 0.00 C ATOM 28 H5 NAG 3 16.930 16.880 18.030 1.00 0.00 H ATOM 29 C6 NAG 3 15.470 18.210 18.770 1.00 0.00 C ATOM 30 H62 NAG 3 15.980 19.140 18.520 1.00 0.00 H ATOM 31 H61 NAG 3 15.730 17.930 19.790 1.00 0.00 H ATOM 32 O6 NAG 3 14.050 18.320 18.720 1.00 0.00 O ATOM 33 H6O NAG 3 13.710 17.770 19.430 1.00 0.00 H ATOM 34 C4 NAG 3 15.420 17.150 16.410 1.00 0.00 C ATOM 35 H4 NAG 3 14.350 17.270 16.270 1.00 0.00 H ATOM 36 O4 NAG 3 16.000 18.330 15.850 1.00 0.00 O ATOM 37 [cell cut: 9537 characters, first 2000 kept]