G29530AB
has sequence: WURCS=2.0/2,2,1/[a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_6*OC]/1-2/a4-b1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411303D 54 55 0 0 1 0 0 0 0 0999 V2000 12.3500 8.7200 21.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3300 9.0500 22.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9600 10.3100 22.6600 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0400 10.1700 22.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6200 10.9200 23.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3300 12.2900 24.0400 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3900 12.0400 24.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 12.9000 25.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9700 13.2800 25.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 13.7100 25.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9400 11.8500 26.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 11.0400 26.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8600 13.2000 22.8200 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3800 14.1500 22.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0700 12.5200 21.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1300 12.4900 21.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 13.2400 20.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 12.5800 19.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5200 11.0800 21.4500 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4400 11.1400 21.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9700 10.3900 20.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5700 9.5200 20.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 13.5100 22.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0100 14.9200 22.6800 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3100 15.1700 21.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6400 15.7400 23.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 17.1600 23.3800 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7000 17.4600 22.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9100 17.4200 23.6000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6800 18.4700 23.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6100 17.2700 25.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 16.8000 25.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 16.4800 22.7800 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0900 16.7500 21.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 16.5200 23.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 17.4300 23.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 15.0400 22.9000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2500 14.5200 23.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 14.2400 21.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 8.29[cell cut: 3700 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 "2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose" 383.349 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? 3 non-polymer syn "1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one" 242.230 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 MEX 1 4 4 MEX MEX ? . # 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 MEX non-polymer . "1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one" ? "C13 H10 N2 O3" 242.230 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-GALACTOSAMINE" "C8 H15 N O6" 221.208 ROH non-polymer . "UNKNOWN LI[cell cut: 13035 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4LB A 2 1.43 LINK O4 4LB A 2 C1 6VB A 3 1.46 LINK O6 6VB A 3 CH3 MEX A 4 1.46 ATOM 1 HO1 ROH 1 12.350 8.720 21.820 1.00 0.00 H ATOM 2 O1 ROH 1 12.330 9.050 22.720 1.00 0.00 O ATOM 3 C1 GAL 2 12.960 10.310 22.660 1.00 0.00 C ATOM 4 H1 GAL 2 14.040 10.170 22.620 1.00 0.00 H ATOM 5 O5 GAL 2 12.620 10.920 23.880 1.00 0.00 O ATOM 6 C5 GAL 2 13.330 12.290 24.040 1.00 0.00 C ATOM 7 H5 GAL 2 14.390 12.040 24.030 1.00 0.00 H ATOM 8 C6 GAL 2 12.990 12.900 25.430 1.00 0.00 C ATOM 9 H62 GAL 2 11.970 13.280 25.540 1.00 0.00 H ATOM 10 H61 GAL 2 13.650 13.710 25.750 1.00 0.00 H ATOM 11 O6 GAL 2 12.940 11.850 26.400 1.00 0.00 O ATOM 12 H6O GAL 2 12.550 11.040 26.080 1.00 0.00 H ATOM 13 C4 GAL 2 12.860 13.200 22.820 1.00 0.00 C ATOM 14 H4 GAL 2 13.380 14.150 22.930 1.00 0.00 H ATOM 15 C3 GAL 2 13.070 12.520 21.500 1.00 0.00 C ATOM 16 H3 GAL 2 14.130 12.490 21.250 1.00 0.00 H ATOM 17 O3 GAL 2 12.510 13.240 20.390 1.00 0.00 O ATOM 18 H3O GAL 2 12.600 12.580 19.700 1.00 0.00 H ATOM 19 C2 GAL 2 12.520 11.080 21.450 1.00 0.00 C ATOM 20 H2 GAL 2 11.440 11.140 21.570 1.00 0.00 H ATOM 21 O2 GAL 2 12.970 10.390 20.220 1.00 0.00 O ATOM 22 H2O GAL 2 12.570 9.520 20.180 1.00 0.00 H ATOM 23 O4 GAL 2 11.400 13.510 22.920 1.00 0.00 O ATOM 24 C1 NGA 3 11.010 14.920 22.680 1.00 0.00 C ATOM 25 H1 NGA 3 11.310 15.170 21.660 1.00 0.00 H ATOM 26 O5 NGA 3 11.640 15.740 23.680 1.00 0.00 O ATOM 27 C5 NGA 3 11.400 17.160 23.380 1.00 0.00 C ATOM 28 H5 NGA 3 11.700 17.460 22.370 1.00 0.00 H ATOM 29 C4 NGA 3 9.910 17.420 23.600 1.00 0.00 C ATOM 30 H4 NGA 3 9.680 18.470 23.390 1.00 0.00 H ATOM 31 O4 NGA 3 9.610 17.270 25.020 1.00 0.00 O ATOM 32 H4O NGA 3 8.770 16.800 25.110 1.00 0.00 H ATOM 33 C3 NGA 3 8.990 16.480 22.780 1.00 0.00 C ATOM 34 H3 NGA 3 9.090 16.750 21.730 1.00 0.00 H ATOM 35 O3 NGA 3 7.590 16.520 23.200 1.00 0.00 O ATOM 36 H3O NGA 3 7.290 17.430 23.240 1.00 0.00 H ATOM 37 C2 NGA 3 9.500 15.040 22.900 1.00 0.00 C ATOM 38 H2 NGA 3 9.250 14.520 23.820 1.00 0.00 H ATOM 39 N2 NGA 3 [cell cut: 3633 characters, first 2000 kept]