G46083NH
has sequence: WURCS=2.0/4,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5]/1-2-3-2-3-2-4/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412143D 162168 0 0 1 0 0 0 0 0999 V2000 13.1900 16.2000 27.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0600 17.1400 27.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3600 17.5000 27.2000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0300 17.1500 27.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4200 18.9400 27.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7600 19.4300 26.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4700 19.1300 27.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5900 21.0100 26.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5300 21.5500 26.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1400 21.3500 27.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7100 21.4000 25.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 21.0500 25.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2600 18.9000 25.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6700 19.3800 24.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0500 17.3700 25.3900 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8100 16.8900 26.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2600 16.8900 23.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4300 17.0500 23.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6400 16.9300 25.7900 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0700 17.3400 24.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5600 15.5000 25.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6500 15.0200 25.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7000 19.1700 25.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2100 19.8700 24.2600 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5900 20.7400 24.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 19.0400 23.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6000 19.7000 21.9300 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0300 20.6300 21.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3800 18.8700 20.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1100 18.0700 20.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4300 19.5600 19.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1100 18.1900 20.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0100 18.2900 21.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 20.0400 22.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5300 20.5300 21.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7700 18.7600 22.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6800 19.0400 22.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3700 20.9000 23.3300 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0000 21.9100 23.1700 H 0 0 0 0 0 0 0[cell cut: 11062 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)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose" 1235.105 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 GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "C6 H12 O6" 180.156 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "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.[cell cut: 22146 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4GB A 2 1.43 LINK O4 4GB A 2 C1 3LB A 3 1.46 LINK O3 3LB A 3 C1 4YB A 4 1.46 LINK O4 4YB A 4 C1 3LB A 5 1.46 LINK O3 3LB A 5 C1 4YB A 6 1.46 LINK O4 4YB A 6 C1 3LB A 7 1.46 LINK O3 3LB A 7 C1 0LA A 8 1.46 ATOM 1 HO1 ROH 1 13.190 16.200 27.580 1.00 0.00 H ATOM 2 O1 ROH 1 13.060 17.140 27.510 1.00 0.00 O ATOM 3 C1 GLC 2 14.360 17.500 27.200 1.00 0.00 C ATOM 4 H1 GLC 2 15.030 17.150 27.970 1.00 0.00 H ATOM 5 O5 GLC 2 14.420 18.940 27.140 1.00 0.00 O ATOM 6 C5 GLC 2 15.760 19.430 26.880 1.00 0.00 C ATOM 7 H5 GLC 2 16.470 19.130 27.640 1.00 0.00 H ATOM 8 C6 GLC 2 15.590 21.010 26.880 1.00 0.00 C ATOM 9 H62 GLC 2 16.530 21.550 26.740 1.00 0.00 H ATOM 10 H61 GLC 2 15.140 21.350 27.820 1.00 0.00 H ATOM 11 O6 GLC 2 14.710 21.400 25.800 1.00 0.00 O ATOM 12 H6O GLC 2 13.840 21.050 25.990 1.00 0.00 H ATOM 13 C4 GLC 2 16.260 18.900 25.500 1.00 0.00 C ATOM 14 H4 GLC 2 15.670 19.380 24.720 1.00 0.00 H ATOM 15 C3 GLC 2 16.050 17.370 25.390 1.00 0.00 C ATOM 16 H3 GLC 2 16.810 16.890 26.010 1.00 0.00 H ATOM 17 O3 GLC 2 16.260 16.890 23.990 1.00 0.00 O ATOM 18 H3O GLC 2 15.430 17.050 23.530 1.00 0.00 H ATOM 19 C2 GLC 2 14.640 16.930 25.790 1.00 0.00 C ATOM 20 H2 GLC 2 14.070 17.340 24.960 1.00 0.00 H ATOM 21 O2 GLC 2 14.560 15.500 25.940 1.00 0.00 O ATOM 22 H2O GLC 2 14.650 15.020 25.120 1.00 0.00 H ATOM 23 O4 GLC 2 17.700 19.170 25.440 1.00 0.00 O ATOM 24 C1 GAL 3 18.210 19.870 24.260 1.00 0.00 C ATOM 25 H1 GAL 3 17.590 20.740 24.080 1.00 0.00 H ATOM 26 O5 GAL 3 18.150 19.040 23.130 1.00 0.00 O ATOM 27 C5 GAL 3 18.600 19.700 21.930 1.00 0.00 C ATOM 28 H5 GAL 3 18.030 20.630 21.900 1.00 0.00 H ATOM 29 C6 GAL 3 18.380 18.870 20.680 1.00 0.00 C ATOM 30 H62 GAL 3 19.110 18.070 20.580 1.00 0.00 H ATOM 31 H61 GAL 3 18.430 19.560 19.830 1.00 0.00 H ATOM 32 O6 GAL 3 17.110 18.190 20.860 1.00 0.00 O ATOM 33 H6O GAL 3 17.010 18.290 21.810 1.00 0.00 H ATOM 34 C4 GAL 3 20.050 20.040 22.120 1.00 0.00 C ATOM 35 H4 GAL 3 20.530 20.530 21.270 1.00 0.00 H ATOM 36 O4 GAL 3 20.770 18[cell cut: 11187 characters, first 2000 kept]