G55396DW
has sequence: WURCS=2.0/5,12,11/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-3-1-4-5-5/a4-b1_a6-l1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_e4-f1_h2-i1_i4-j1_j2-k1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412403D 283294 0 0 1 0 0 0 0 0999 V2000 15.7900 12.5400 18.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5200 13.4200 18.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7300 14.0900 18.6500 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1000 13.7900 17.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5900 13.5400 19.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9300 14.0400 19.6500 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3300 13.8300 18.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8300 13.2500 20.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9000 13.4700 20.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7000 12.2300 20.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3100 13.3000 21.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9400 15.5200 19.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4900 15.7200 20.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0100 16.2200 18.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4900 16.2400 17.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6900 17.5500 19.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0900 18.1800 18.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6300 15.6500 18.6700 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1100 15.8200 19.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9700 16.2300 17.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3000 15.9300 16.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7500 16.7000 17.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4600 17.4700 18.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7600 16.4900 16.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7700 16.2600 16.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 17.4200 16.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0400 15.6200 15.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3100 16.0200 19.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5500 17.1300 20.5600 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7200 17.4000 21.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7200 18.3300 19.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9700 19.7000 20.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0600 20.0300 20.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2400 20.6600 19.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9700 20.2300 18.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5800 21.5900 19.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0200 20.9600 18.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4200 21.5100 18.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1500 19.5600 21.0900 C 0 0 2 0 0 0 0[cell cut: 19426 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-(1-6)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]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 ; 2136.965 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 MAN "D-saccharide,[cell cut: 33394 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 QMB A 4 1.46 LINK O6 QMB A 4 C1 2MA A 9 1.46 LINK O4 QMB A 4 C1 0YB A 8 1.46 LINK O3 QMB 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 0LB A 7 1.46 LINK O2 2MA A 9 C1 4YB A 10 1.46 LINK O4 4YB A 10 C1 2LB A 11 1.46 LINK O2 2LB A 11 C1 0fA A 12 1.46 ATOM 1 HO1 ROH 1 15.790 12.540 18.480 1.00 0.00 H ATOM 2 O1 ROH 1 15.520 13.420 18.750 1.00 0.00 O ATOM 3 C1 NAG 2 16.730 14.090 18.650 1.00 0.00 C ATOM 4 H1 NAG 2 17.100 13.790 17.670 1.00 0.00 H ATOM 5 O5 NAG 2 17.590 13.540 19.750 1.00 0.00 O ATOM 6 C5 NAG 2 18.930 14.040 19.650 1.00 0.00 C ATOM 7 H5 NAG 2 19.330 13.830 18.660 1.00 0.00 H ATOM 8 C6 NAG 2 19.830 13.250 20.600 1.00 0.00 C ATOM 9 H62 NAG 2 20.900 13.470 20.540 1.00 0.00 H ATOM 10 H61 NAG 2 19.700 12.230 20.230 1.00 0.00 H ATOM 11 O6 NAG 2 19.310 13.300 21.900 1.00 0.00 O ATOM 12 C4 NAG 2 18.940 15.520 19.880 1.00 0.00 C ATOM 13 H4 NAG 2 18.490 15.720 20.850 1.00 0.00 H ATOM 14 C3 NAG 2 18.010 16.220 18.850 1.00 0.00 C ATOM 15 H3 NAG 2 18.490 16.240 17.870 1.00 0.00 H ATOM 16 O3 NAG 2 17.690 17.550 19.280 1.00 0.00 O ATOM 17 H3O NAG 2 18.090 18.180 18.660 1.00 0.00 H ATOM 18 C2 NAG 2 16.630 15.650 18.670 1.00 0.00 C ATOM 19 H2 NAG 2 16.110 15.820 19.610 1.00 0.00 H ATOM 20 N2 NAG 2 15.970 16.230 17.550 1.00 0.00 N ATOM 21 H2N NAG 2 16.300 15.930 16.640 1.00 0.00 H ATOM 22 C2N NAG 2 14.750 16.700 17.630 1.00 0.00 C ATOM 23 O2N NAG 2 14.460 17.470 18.570 1.00 0.00 O ATOM 24 CME NAG 2 13.760 16.490 16.560 1.00 0.00 C ATOM 25 H3M NAG 2 12.770 16.260 16.960 1.00 0.00 H ATOM 26 H2M NAG 2 13.710 17.420 16.010 1.00 0.00 H ATOM 27 H1M NAG 2 14.040 15.620 15.970 1.00 0.00 H ATOM 28 O4 NAG 2 20.310 16.020 19.620 1.00 0.00 O ATOM 29 C1 NAG 3 20.550 17.130 20.560 1.00 0.00 C ATOM 30 H1 NAG 3 19.720 17.400 21.210 1.00 0.00 H ATOM 31 O5 NAG 3 20.720 18.330 19.650 1.00 0.00 O ATOM 32 C5 NAG 3 20.970 19.700 20.190 1.00 0.00 C ATOM 33 [cell cut: 20027 characters, first 2000 kept]