G87535DG
has sequence: WURCS=2.0/6,12,11/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-1-2-3-1-4-5-6-3-1-4-5/a4-b1_a6-l1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f2-g1_f3-h1_i2-j1_j4-k1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411483D 277288 0 0 1 0 0 0 0 0999 V2000 10.9400 8.1000 31.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6300 8.5500 32.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9300 8.5000 31.6100 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6100 7.8100 32.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 9.8700 31.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7500 10.1900 31.3000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4100 9.3900 31.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2700 11.5400 31.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3400 11.6100 31.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0100 11.6600 32.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5300 12.5700 30.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8400 9.9900 29.7500 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3300 10.8200 29.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1400 8.6100 29.3300 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8400 7.8100 29.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 8.6600 27.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4000 8.0200 27.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 8.2400 30.1500 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0800 8.9500 29.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5400 6.8100 29.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3000 6.1800 30.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 6.4000 29.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 7.2200 29.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 4.9200 28.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 4.8700 27.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 4.2900 29.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 4.5700 29.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3500 10.0400 29.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6400 10.7800 28.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9800 11.6500 28.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5400 9.9800 26.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8400 10.5400 25.5500 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0700 11.1900 25.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0300 9.3900 24.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8200 8.7800 25.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2500 9.6900 23.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7300 8.6800 24.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0600 9.3000 24.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0800 11.3800 25.6400 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9700 10.7500 [cell cut: 18986 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; 1933.772 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? 3 non-polymer syn beta-D-galactopyranose 180.156 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 GAL 1 9 9 GAL GAL ? . # 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; galact[cell cut: 32710 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 UYB A 2 1.43 LINK O6 UYB A 2 C1 0fA A 13 1.46 LINK O4 UYB A 2 C1 4YB A 3 1.46 LINK O4 4YB A 3 C1 VMB A 4 1.46 LINK O6 VMB A 4 C1 2MA A 10 1.46 LINK O3 VMB A 4 C1 2MA A 5 1.46 LINK O2 2MA A 5 C1 4YB A 6 1.46 LINK O4 4YB A 6 C1 ZLB A 7 1.46 LINK O3 ZLB A 7 C1 0LA A 9 1.46 LINK O2 ZLB A 7 C1 0fA A 8 1.46 LINK O2 2MA A 10 C1 4YB A 11 1.46 LINK O4 4YB A 11 C1 0LB A 12 1.46 ATOM 1 HO1 ROH 1 10.940 8.100 31.670 1.00 0.00 H ATOM 2 O1 ROH 1 11.630 8.550 32.160 1.00 0.00 O ATOM 3 C1 NAG 2 12.930 8.500 31.610 1.00 0.00 C ATOM 4 H1 NAG 2 13.610 7.810 32.120 1.00 0.00 H ATOM 5 O5 NAG 2 13.400 9.870 31.810 1.00 0.00 O ATOM 6 C5 NAG 2 14.750 10.190 31.300 1.00 0.00 C ATOM 7 H5 NAG 2 15.410 9.390 31.650 1.00 0.00 H ATOM 8 C6 NAG 2 15.270 11.540 31.670 1.00 0.00 C ATOM 9 H62 NAG 2 16.340 11.610 31.500 1.00 0.00 H ATOM 10 H61 NAG 2 15.010 11.660 32.720 1.00 0.00 H ATOM 11 O6 NAG 2 14.530 12.570 30.830 1.00 0.00 O ATOM 12 C4 NAG 2 14.840 9.990 29.750 1.00 0.00 C ATOM 13 H4 NAG 2 14.330 10.820 29.260 1.00 0.00 H ATOM 14 C3 NAG 2 14.140 8.610 29.330 1.00 0.00 C ATOM 15 H3 NAG 2 14.840 7.810 29.550 1.00 0.00 H ATOM 16 O3 NAG 2 13.830 8.660 27.890 1.00 0.00 O ATOM 17 H3O NAG 2 14.400 8.020 27.460 1.00 0.00 H ATOM 18 C2 NAG 2 12.850 8.240 30.150 1.00 0.00 C ATOM 19 H2 NAG 2 12.080 8.950 29.830 1.00 0.00 H ATOM 20 N2 NAG 2 12.540 6.810 29.980 1.00 0.00 N ATOM 21 H2N NAG 2 13.300 6.180 30.160 1.00 0.00 H ATOM 22 C2N NAG 2 11.390 6.400 29.370 1.00 0.00 C ATOM 23 O2N NAG 2 10.470 7.220 29.350 1.00 0.00 O ATOM 24 CME NAG 2 11.250 4.920 28.840 1.00 0.00 C ATOM 25 H3M NAG 2 11.080 4.870 27.760 1.00 0.00 H ATOM 26 H2M NAG 2 12.090 4.290 29.130 1.00 0.00 H ATOM 27 H1M NAG 2 10.460 4.570 29.510 1.00 0.00 H ATOM 28 O4 NAG 2 16.350 10.040 29.370 1.00 0.00 O ATOM 29 C1 NAG 3 16.640 10.780 28.120 1.00 0.00 C ATOM 30 H1 NAG 3 15.980 11.650 28.080 1.00 0.00 H ATOM 31 O5 NAG 3 16.540 9.980 26.890 1.00 0.00 O ATOM 32 C5 NAG 3 16.840 10.540 25.550 1.00 0.00 C ATOM 33 H5 NAG 3 16.070 11.190[cell cut: 19564 characters, first 2000 kept]