G48262OB
has sequence: WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5_3*OC][a2122h-1b_1-5_2*NCC/3=O]/1-2-3/a4-b1_b4-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410283D 75 77 0 0 1 0 0 0 0 0999 V2000 14.6300 8.9200 6.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3300 9.5100 6.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9100 10.1100 7.7300 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5500 10.9200 7.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7600 9.1200 8.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3900 9.6300 9.7100 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9600 10.5400 9.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3700 8.5600 10.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0400 7.5300 10.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6700 8.8100 11.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6700 8.6200 9.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1600 9.3900 9.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3400 9.9400 10.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7800 9.0600 11.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4100 11.0000 10.0900 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8300 12.0100 10.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3300 11.0700 10.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6800 11.1000 11.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8300 10.6500 8.7100 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9800 9.9600 8.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3900 11.9800 8.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6800 12.3000 8.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9900 10.5100 11.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8400 9.8400 13.2100 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9000 8.7500 13.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 10.1700 13.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1000 9.7200 15.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2400 8.6400 15.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6900 10.0700 15.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4100 11.0400 14.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4200 10.1000 16.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 9.0600 14.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 8.8300 14.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0700 10.4300 16.1000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9100 10.0700 17.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8500 11.9000 15.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6100 10.2000 15.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8100 9.1600 16.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9000 10.3200 14.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1700 11.3600 14.060[cell cut: 5114 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-glucopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose" 545.490 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 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "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 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-ace[cell cut: 15138 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4GB A 2 1.43 LINK O4 4GB A 2 C1 WLB A 3 1.46 LINK O4 WLB A 3 C1 0YB A 5 1.46 LINK O3 WLB A 3 CH3 MEX A 4 1.46 ATOM 1 HO1 ROH 1 14.630 8.920 6.910 1.00 0.00 H ATOM 2 O1 ROH 1 15.330 9.510 6.630 1.00 0.00 O ATOM 3 C1 GLC 2 15.910 10.110 7.730 1.00 0.00 C ATOM 4 H1 GLC 2 16.550 10.920 7.380 1.00 0.00 H ATOM 5 O5 GLC 2 16.760 9.120 8.410 1.00 0.00 O ATOM 6 C5 GLC 2 17.390 9.630 9.710 1.00 0.00 C ATOM 7 H5 GLC 2 17.960 10.540 9.480 1.00 0.00 H ATOM 8 C6 GLC 2 18.370 8.560 10.230 1.00 0.00 C ATOM 9 H62 GLC 2 18.040 7.530 10.130 1.00 0.00 H ATOM 10 H61 GLC 2 18.670 8.810 11.250 1.00 0.00 H ATOM 11 O6 GLC 2 19.670 8.620 9.540 1.00 0.00 O ATOM 12 H6O GLC 2 20.160 9.390 9.830 1.00 0.00 H ATOM 13 C4 GLC 2 16.340 9.940 10.740 1.00 0.00 C ATOM 14 H4 GLC 2 15.780 9.060 11.060 1.00 0.00 H ATOM 15 C3 GLC 2 15.410 11.000 10.090 1.00 0.00 C ATOM 16 H3 GLC 2 15.830 12.010 10.100 1.00 0.00 H ATOM 17 O3 GLC 2 14.330 11.070 10.990 1.00 0.00 O ATOM 18 H3O GLC 2 14.680 11.100 11.880 1.00 0.00 H ATOM 19 C2 GLC 2 14.830 10.650 8.710 1.00 0.00 C ATOM 20 H2 GLC 2 13.980 9.960 8.720 1.00 0.00 H ATOM 21 O2 GLC 2 14.390 11.980 8.220 1.00 0.00 O ATOM 22 H2O GLC 2 13.680 12.300 8.770 1.00 0.00 H ATOM 23 O4 GLC 2 16.990 10.510 11.950 1.00 0.00 O ATOM 24 C1 GAL 3 16.840 9.840 13.210 1.00 0.00 C ATOM 25 H1 GAL 3 16.900 8.750 13.190 1.00 0.00 H ATOM 26 O5 GAL 3 15.500 10.170 13.780 1.00 0.00 O ATOM 27 C5 GAL 3 15.100 9.720 15.130 1.00 0.00 C ATOM 28 H5 GAL 3 15.240 8.640 15.120 1.00 0.00 H ATOM 29 C6 GAL 3 13.690 10.070 15.400 1.00 0.00 C ATOM 30 H62 GAL 3 13.410 11.040 14.990 1.00 0.00 H ATOM 31 H61 GAL 3 13.420 10.100 16.460 1.00 0.00 H ATOM 32 O6 GAL 3 12.800 9.060 14.860 1.00 0.00 O ATOM 33 H6O GAL 3 13.180 8.830 14.010 1.00 0.00 H ATOM 34 C4 GAL 3 16.070 10.430 16.100 1.00 0.00 C ATOM 35 H4 GAL 3 15.910 10.070 17.110 1.00 0.00 H ATOM 36 O4 GAL 3 15.850 11.900 15.840 1.00 0.00 O ATOM 37 C3 GAL 3 17.610 10.200 15.770 1.00 0.00 C ATOM 38 H3 GAL 3 17.810 9.160 16.030 1.00 0.00 H ATO[cell cut: 5047 characters, first 2000 kept]