G02403ZU
has sequence: WURCS=2.0/3,6,5/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_a6-e1_b3-c1_c3-d1_e4-f1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410143D 147152 0 0 1 0 0 0 0 0999 V2000 13.3200 16.2300 24.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 16.9400 24.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4000 17.4100 25.3500 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9700 16.5300 25.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1100 18.0900 26.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3500 18.2800 27.2800 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7900 17.3000 27.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0700 18.9200 28.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8200 19.9800 28.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9000 18.8200 29.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9400 18.1500 29.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2800 19.2200 26.4500 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2000 19.2400 27.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6400 20.5700 26.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0700 21.0800 25.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5800 18.7200 25.0400 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2800 17.9000 25.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 18.3600 24.3800 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7100 19.3300 24.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4700 17.6900 23.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8200 16.7400 23.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7000 18.3500 21.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6000 19.5600 21.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3500 17.4900 20.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6100 18.1800 20.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2900 17.1000 21.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7200 16.6500 20.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2000 19.7900 24.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6500 19.5900 24.0500 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8300 18.5700 23.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3300 19.6700 25.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8100 19.7500 25.1800 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1400 18.8300 24.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5100 19.9500 26.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9000 20.5500 27.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4900 20.4100 26.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6600 18.7000 27.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1600 18.7000 27.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1400 20.9400 24.1900 C 0 0 2 0 0 0 0[cell cut: 10032 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-(1-3)-beta-D-galactopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-galactopyranose" 1114.016 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-acetami[cell cut: 20741 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 VVB A 2 1.43 LINK O6 VVB A 2 C1 4YB A 6 1.46 LINK O3 VVB A 2 C1 3LB A 3 1.46 LINK O3 3LB A 3 C1 3YB A 4 1.46 LINK O3 3YB A 4 C1 0LB A 5 1.46 LINK O4 4YB A 6 C1 0LB A 7 1.46 ATOM 1 HO1 ROH 1 13.320 16.230 24.140 1.00 0.00 H ATOM 2 O1 ROH 1 13.170 16.940 24.760 1.00 0.00 O ATOM 3 C1 NGA 2 14.400 17.410 25.350 1.00 0.00 C ATOM 4 H1 NGA 2 14.970 16.530 25.640 1.00 0.00 H ATOM 5 O5 NGA 2 14.110 18.090 26.590 1.00 0.00 O ATOM 6 C5 NGA 2 15.350 18.280 27.280 1.00 0.00 C ATOM 7 H5 NGA 2 15.790 17.300 27.470 1.00 0.00 H ATOM 8 C6 NGA 2 15.070 18.920 28.650 1.00 0.00 C ATOM 9 H62 NGA 2 14.820 19.980 28.560 1.00 0.00 H ATOM 10 H61 NGA 2 15.900 18.820 29.350 1.00 0.00 H ATOM 11 O6 NGA 2 13.940 18.150 29.290 1.00 0.00 O ATOM 12 C4 NGA 2 16.280 19.220 26.450 1.00 0.00 C ATOM 13 H4 NGA 2 17.200 19.240 27.030 1.00 0.00 H ATOM 14 O4 NGA 2 15.640 20.570 26.360 1.00 0.00 O ATOM 15 H4O NGA 2 16.070 21.080 25.680 1.00 0.00 H ATOM 16 C3 NGA 2 16.580 18.720 25.040 1.00 0.00 C ATOM 17 H3 NGA 2 17.280 17.900 25.170 1.00 0.00 H ATOM 18 C2 NGA 2 15.210 18.360 24.380 1.00 0.00 C ATOM 19 H2 NGA 2 14.710 19.330 24.340 1.00 0.00 H ATOM 20 N2 NGA 2 15.470 17.690 23.040 1.00 0.00 N ATOM 21 H2N NGA 2 15.820 16.740 23.020 1.00 0.00 H ATOM 22 C2N NGA 2 15.700 18.350 21.920 1.00 0.00 C ATOM 23 O2N NGA 2 15.600 19.560 21.830 1.00 0.00 O ATOM 24 CME NGA 2 16.350 17.490 20.820 1.00 0.00 C ATOM 25 H3M NGA 2 16.610 18.180 20.020 1.00 0.00 H ATOM 26 H2M NGA 2 17.290 17.100 21.220 1.00 0.00 H ATOM 27 H1M NGA 2 15.720 16.650 20.510 1.00 0.00 H ATOM 28 O3 NGA 2 17.200 19.790 24.250 1.00 0.00 O ATOM 29 C1 GAL 3 18.650 19.590 24.050 1.00 0.00 C ATOM 30 H1 GAL 3 18.830 18.570 23.710 1.00 0.00 H ATOM 31 O5 GAL 3 19.330 19.670 25.360 1.00 0.00 O ATOM 32 C5 GAL 3 20.810 19.750 25.180 1.00 0.00 C ATOM 33 H5 GAL 3 21.140 18.830 24.680 1.00 0.00 H ATOM 34 C6 GAL 3 21.510 19.950 26.510 1.00 0.00 C ATOM 35 H62 GAL 3 20.900 20.550 27.200 1.00 0.00 H ATOM 36 H61 GAL 3 22.490 20.410 26.430 1.00 0.00 H ATOM[cell cut: 10117 characters, first 2000 kept]