G16673GG
has sequence: WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4/a4-b1_b3-c1_c3-d1_d2-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411083D 113117 0 0 1 0 0 0 0 0999 V2000 11.7700 3.8600 9.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6900 3.8300 10.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 5.1600 9.8100 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2700 5.0900 10.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 6.0700 10.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 7.5100 10.5500 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9300 7.4800 10.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1800 8.2500 11.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 9.3000 11.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4400 7.7200 12.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7400 8.1500 11.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3700 8.8900 12.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5900 7.9600 9.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5500 7.8700 8.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3100 7.1000 8.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3400 7.3900 8.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0800 7.6200 6.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8800 8.1300 6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0200 5.6100 8.3500 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0100 5.3100 8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 4.8400 7.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7400 3.9100 7.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 9.3400 8.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 10.3600 8.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4200 10.1800 9.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4100 10.4000 7.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 11.3000 7.6900 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7000 11.0900 8.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 11.1500 6.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 11.0200 5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 12.0000 6.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 9.9900 6.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 10.0000 5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7200 12.7300 7.8600 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8700 13.4200 7.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5400 13.0000 6.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1800 13.6900 6.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7000 12.8900 9.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0600 12.9300 9.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 11.7700 9.1400 C 0 0 1 0 0 0 0 0 0 0 0 0[cell cut: 7635 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 "alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose" 853.771 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 FUC "L-saccharide, alpha linking" . alpha-L-fucopyranose "alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose" "C6 H12 O5" 164.156 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 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-galact[cell cut: 17763 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 3VB A 4 1.46 LINK O3 3VB A 4 C1 2LB A 5 1.46 LINK O2 2LB A 5 C1 0fA A 6 1.46 ATOM 1 HO1 ROH 1 11.770 3.860 9.730 1.00 0.00 H ATOM 2 O1 ROH 1 12.690 3.830 10.000 1.00 0.00 O ATOM 3 C1 GLC 2 13.230 5.160 9.810 1.00 0.00 C ATOM 4 H1 GLC 2 14.270 5.090 10.110 1.00 0.00 H ATOM 5 O5 GLC 2 12.480 6.070 10.680 1.00 0.00 O ATOM 6 C5 GLC 2 12.850 7.510 10.550 1.00 0.00 C ATOM 7 H5 GLC 2 13.930 7.480 10.690 1.00 0.00 H ATOM 8 C6 GLC 2 12.180 8.250 11.670 1.00 0.00 C ATOM 9 H62 GLC 2 12.430 9.300 11.790 1.00 0.00 H ATOM 10 H61 GLC 2 12.440 7.720 12.580 1.00 0.00 H ATOM 11 O6 GLC 2 10.740 8.150 11.510 1.00 0.00 O ATOM 12 H6O GLC 2 10.370 8.890 12.000 1.00 0.00 H ATOM 13 C4 GLC 2 12.590 7.960 9.130 1.00 0.00 C ATOM 14 H4 GLC 2 11.550 7.870 8.830 1.00 0.00 H ATOM 15 C3 GLC 2 13.310 7.100 8.130 1.00 0.00 C ATOM 16 H3 GLC 2 14.340 7.390 8.370 1.00 0.00 H ATOM 17 O3 GLC 2 13.080 7.620 6.770 1.00 0.00 O ATOM 18 H3O GLC 2 13.880 8.130 6.620 1.00 0.00 H ATOM 19 C2 GLC 2 13.020 5.610 8.350 1.00 0.00 C ATOM 20 H2 GLC 2 12.010 5.310 8.070 1.00 0.00 H ATOM 21 O2 GLC 2 13.980 4.840 7.560 1.00 0.00 O ATOM 22 H2O GLC 2 13.740 3.910 7.570 1.00 0.00 H ATOM 23 O4 GLC 2 13.110 9.340 8.900 1.00 0.00 O ATOM 24 C1 GAL 3 12.100 10.360 8.880 1.00 0.00 C ATOM 25 H1 GAL 3 11.420 10.180 9.720 1.00 0.00 H ATOM 26 O5 GAL 3 11.410 10.400 7.600 1.00 0.00 O ATOM 27 C5 GAL 3 10.300 11.300 7.690 1.00 0.00 C ATOM 28 H5 GAL 3 9.700 11.090 8.580 1.00 0.00 H ATOM 29 C6 GAL 3 9.460 11.150 6.450 1.00 0.00 C ATOM 30 H62 GAL 3 10.030 11.020 5.530 1.00 0.00 H ATOM 31 H61 GAL 3 8.800 12.000 6.240 1.00 0.00 H ATOM 32 O6 GAL 3 8.620 9.990 6.530 1.00 0.00 O ATOM 33 H6O GAL 3 8.150 10.000 5.700 1.00 0.00 H ATOM 34 C4 GAL 3 10.720 12.730 7.860 1.00 0.00 C ATOM 35 H4 GAL 3 9.870 13.420 7.900 1.00 0.00 H ATOM 36 O4 GAL 3 11.540 13.000 6.700 1.00 0.00 O ATOM 37 H4O GAL 3 12.180 13.690 6.830 1.00 0.00 H ATOM 38 C3 GAL 3 11.700 12.890 9.000 1.00 0.00[cell cut: 7605 characters, first 2000 kept]