G10174LI
has sequence: WURCS=2.0/3,3,2/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a6-b1_b3-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412023D 77 79 0 0 1 0 0 0 0 0999 V2000 8.2200 6.9200 12.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 7.8600 12.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 8.6600 13.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4600 9.6000 13.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 7.9600 14.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 8.7800 15.5200 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3500 9.8000 15.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 8.8800 15.6700 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3200 9.5300 16.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 7.5700 15.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 7.4300 15.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 9.5000 14.3900 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3700 10.4900 14.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 9.6400 14.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 8.8800 14.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 8.7200 13.1300 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0500 7.6800 13.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 9.2900 11.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 10.1000 11.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 9.0500 11.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 8.3800 12.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 9.5700 10.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 10.5200 9.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 8.8700 9.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 9.6100 9.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 8.2900 16.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9800 7.2100 16.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 8.5400 17.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1800 8.9700 16.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 8.2200 17.3100 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3400 7.2900 16.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 8.0000 18.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 7.3600 19.5300 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0800 6.2800 19.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9400 7.8400 20.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6800 7.3800 21.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 7.6400 21.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1900 9.2300 20.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4100 9.6300 20.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 7.7600 19.1200 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9500 [cell cut: 5156 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-galactopyranose" 586.542 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 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 NGA "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-galactopyranose "N-acetyl-beta-D-galactosamine; 2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-D-GAL[cell cut: 14527 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 6VB A 2 1.43 LINK O6 6VB A 2 C1 3YB A 3 1.46 LINK O3 3YB A 3 C1 3LB A 4 1.46 ATOM 1 HO1 ROH 1 8.220 6.920 12.100 1.00 0.00 H ATOM 2 O1 ROH 1 8.400 7.860 12.000 1.00 0.00 O ATOM 3 C1 NGA 2 7.910 8.660 13.070 1.00 0.00 C ATOM 4 H1 NGA 2 8.460 9.600 13.050 1.00 0.00 H ATOM 5 O5 NGA 2 8.350 7.960 14.280 1.00 0.00 O ATOM 6 C5 NGA 2 8.050 8.780 15.520 1.00 0.00 C ATOM 7 H5 NGA 2 8.350 9.800 15.310 1.00 0.00 H ATOM 8 C4 NGA 2 6.490 8.880 15.670 1.00 0.00 C ATOM 9 H4 NGA 2 6.320 9.530 16.530 1.00 0.00 H ATOM 10 O4 NGA 2 5.890 7.570 15.850 1.00 0.00 O ATOM 11 H4O NGA 2 5.260 7.430 15.140 1.00 0.00 H ATOM 12 C3 NGA 2 5.910 9.500 14.390 1.00 0.00 C ATOM 13 H3 NGA 2 6.370 10.490 14.290 1.00 0.00 H ATOM 14 O3 NGA 2 4.490 9.640 14.530 1.00 0.00 O ATOM 15 H3O NGA 2 4.080 8.880 14.100 1.00 0.00 H ATOM 16 C2 NGA 2 6.370 8.720 13.130 1.00 0.00 C ATOM 17 H2 NGA 2 6.050 7.680 13.200 1.00 0.00 H ATOM 18 N2 NGA 2 5.770 9.290 11.880 1.00 0.00 N ATOM 19 H2N NGA 2 6.210 10.100 11.450 1.00 0.00 H ATOM 20 C2N NGA 2 4.590 9.050 11.430 1.00 0.00 C ATOM 21 O2N NGA 2 3.800 8.380 12.070 1.00 0.00 O ATOM 22 CME NGA 2 4.200 9.570 10.080 1.00 0.00 C ATOM 23 H3M NGA 2 4.710 10.520 9.900 1.00 0.00 H ATOM 24 H2M NGA 2 4.470 8.870 9.290 1.00 0.00 H ATOM 25 H1M NGA 2 3.120 9.610 9.990 1.00 0.00 H ATOM 26 C6 NGA 2 8.920 8.290 16.720 1.00 0.00 C ATOM 27 H62 NGA 2 8.980 7.210 16.660 1.00 0.00 H ATOM 28 H61 NGA 2 8.380 8.540 17.630 1.00 0.00 H ATOM 29 O6 NGA 2 10.180 8.970 16.720 1.00 0.00 O ATOM 30 C1 NAG 3 11.340 8.220 17.310 1.00 0.00 C ATOM 31 H1 NAG 3 11.340 7.290 16.730 1.00 0.00 H ATOM 32 O5 NAG 3 11.140 8.000 18.750 1.00 0.00 O ATOM 33 C5 NAG 3 12.170 7.360 19.530 1.00 0.00 C ATOM 34 H5 NAG 3 12.080 6.280 19.450 1.00 0.00 H ATOM 35 C6 NAG 3 11.940 7.840 20.940 1.00 0.00 C ATOM 36 H62 NAG 3 12.680 7.380 21.600 1.00 0.00 H ATOM 37 H61 NAG 3 10.890 7.640 21.160 1.00 0.00 H ATOM 38 O6 NAG 3 12.190 9.230 20.990 1.00 0.00 O ATOM 39 H6O NAG 3 11.410 9.630 20.620 1.00 0.00 H ATOM 40 C4 NAG [cell cut: 5089 characters, first 2000 kept]