G70898UD
has sequence: WURCS=2.0/5,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1b_1-5][a1122h-1b_1-5][a212h-1b_1-5][a1122h-1a_1-5]/1-2-1-3-4-5/a3-b1_a4-c1_c4-d1_d2-e1_d3-f1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412443D 136141 0 0 1 0 0 0 0 0999 V2000 8.0800 13.9200 20.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 14.7500 21.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 14.4800 20.2000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 14.1000 19.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4100 13.3200 20.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 12.8000 19.9800 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0800 12.5700 19.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0100 11.4900 20.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 11.7400 21.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8800 11.0400 20.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9600 10.5300 20.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3700 10.7500 21.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 13.9200 19.8800 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8900 14.2100 20.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 13.6000 18.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8900 15.1900 19.3200 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5000 14.9800 18.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6600 15.6800 20.1600 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0400 16.0000 21.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 16.8000 19.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 16.7100 18.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 17.7100 20.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 18.1000 21.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 18.2000 19.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 18.6200 20.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0100 18.9600 18.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 17.2800 19.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9400 16.2700 19.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5700 16.5700 18.0500 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7700 15.6500 17.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8800 17.3900 18.1600 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6700 18.2900 18.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4100 17.8000 16.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7400 16.9200 16.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2900 18.5800 15.9800 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6800 18.9300 15.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2200 17.5400 15.8400 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6300 16.6100 15.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0800 17.8800 14.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 [cell cut: 9298 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-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose" 1026.938 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 MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "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 ROH [cell cut: 20382 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 WYB A 2 1.43 LINK O4 WYB A 2 C1 4YB A 4 1.46 LINK O3 WYB A 2 C1 0fB A 3 1.46 LINK O4 4YB A 4 C1 ZMB A 5 1.46 LINK O3 ZMB A 5 C1 0MA A 7 1.46 LINK O2 ZMB A 5 C1 0XB A 6 1.46 ATOM 1 HO1 ROH 1 8.080 13.920 20.990 1.00 0.00 H ATOM 2 O1 ROH 1 8.570 14.750 21.040 1.00 0.00 O ATOM 3 C1 NAG 2 9.710 14.480 20.200 1.00 0.00 C ATOM 4 H1 NAG 2 9.350 14.100 19.250 1.00 0.00 H ATOM 5 O5 NAG 2 10.410 13.320 20.820 1.00 0.00 O ATOM 6 C5 NAG 2 11.500 12.800 19.980 1.00 0.00 C ATOM 7 H5 NAG 2 11.080 12.570 19.000 1.00 0.00 H ATOM 8 C6 NAG 2 12.010 11.490 20.590 1.00 0.00 C ATOM 9 H62 NAG 2 12.350 11.740 21.600 1.00 0.00 H ATOM 10 H61 NAG 2 12.880 11.040 20.110 1.00 0.00 H ATOM 11 O6 NAG 2 10.960 10.530 20.640 1.00 0.00 O ATOM 12 H6O NAG 2 10.370 10.750 21.360 1.00 0.00 H ATOM 13 C4 NAG 2 12.550 13.920 19.880 1.00 0.00 C ATOM 14 H4 NAG 2 12.890 14.210 20.880 1.00 0.00 H ATOM 15 O4 NAG 2 13.650 13.600 18.970 1.00 0.00 O ATOM 16 C3 NAG 2 11.890 15.190 19.320 1.00 0.00 C ATOM 17 H3 NAG 2 11.500 14.980 18.330 1.00 0.00 H ATOM 18 C2 NAG 2 10.660 15.680 20.160 1.00 0.00 C ATOM 19 H2 NAG 2 11.040 16.000 21.130 1.00 0.00 H ATOM 20 N2 NAG 2 10.020 16.800 19.460 1.00 0.00 N ATOM 21 H2N NAG 2 9.860 16.710 18.470 1.00 0.00 H ATOM 22 C2N NAG 2 9.340 17.710 20.140 1.00 0.00 C ATOM 23 O2N NAG 2 9.640 18.100 21.310 1.00 0.00 O ATOM 24 CME NAG 2 7.940 18.200 19.580 1.00 0.00 C ATOM 25 H3M NAG 2 7.310 18.620 20.370 1.00 0.00 H ATOM 26 H2M NAG 2 8.010 18.960 18.810 1.00 0.00 H ATOM 27 H1M NAG 2 7.520 17.280 19.170 1.00 0.00 H ATOM 28 O3 NAG 2 12.940 16.270 19.430 1.00 0.00 O ATOM 29 C1 FUC 3 13.570 16.570 18.050 1.00 0.00 C ATOM 30 H1 FUC 3 13.770 15.650 17.500 1.00 0.00 H ATOM 31 C2 FUC 3 14.880 17.390 18.160 1.00 0.00 C ATOM 32 H2 FUC 3 14.670 18.290 18.740 1.00 0.00 H ATOM 33 C3 FUC 3 15.410 17.800 16.770 1.00 0.00 C ATOM 34 H3 FUC 3 15.740 16.920 16.220 1.00 0.00 H ATOM 35 C4 FUC 3 14.290 18.580 15.980 1.00 0.00 C ATOM 36 H4 FUC 3 14.680 18.930 15.020 1.00 0.00 H ATOM 37 C5 FUC 3 [cell cut: 9343 characters, first 2000 kept]