G05885FG
has sequence: WURCS=2.0/3,3,2/[a2112h-1b_1-5][a1122h-1b_1-5][a2122h-1b_1-5]/1-2-3/a3-b1_b6-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411563D 66 68 0 0 1 0 0 0 0 0999 V2000 6.6300 12.9600 13.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 13.3900 14.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 14.1600 14.5100 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9300 13.6600 15.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 15.4500 15.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 16.3500 14.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9000 15.8100 15.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 17.6600 15.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8700 18.0700 15.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 18.4400 15.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5800 17.4200 17.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 18.0200 17.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 16.4700 13.4100 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3000 17.1100 13.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 17.2100 12.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8300 17.7700 12.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 15.1400 12.7900 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7000 14.7800 13.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 14.1400 13.0500 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8300 14.5000 12.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1400 12.8300 12.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 12.4800 12.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 15.4400 11.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 15.3000 10.7200 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5800 14.4000 11.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8800 16.4600 11.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2400 16.5700 10.4400 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8700 15.7700 10.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1400 16.5000 8.8900 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7300 17.4200 8.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5100 16.3100 8.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4800 15.9600 7.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3000 15.2500 8.4700 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8100 14.3300 8.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 15.2000 7.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 14.3400 6.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 15.3300 9.1800 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4400 14.4100 9.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2600 16.5000 8.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 16.5800 7.7400[cell cut: 4494 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-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-beta-D-galactopyranose" 504.438 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 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156 MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "C6 H12 O6" 180.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id[cell cut: 13568 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 3LB A 2 1.43 LINK O3 3LB A 2 C1 6MB A 3 1.46 LINK O6 6MB A 3 C1 0GB A 4 1.46 ATOM 1 HO1 ROH 1 6.630 12.960 13.760 1.00 0.00 H ATOM 2 O1 ROH 1 6.840 13.390 14.590 1.00 0.00 O ATOM 3 C1 GAL 2 8.140 14.160 14.510 1.00 0.00 C ATOM 4 H1 GAL 2 8.930 13.660 15.070 1.00 0.00 H ATOM 5 O5 GAL 2 7.910 15.450 15.040 1.00 0.00 O ATOM 6 C5 GAL 2 9.050 16.350 14.920 1.00 0.00 C ATOM 7 H5 GAL 2 9.900 15.810 15.350 1.00 0.00 H ATOM 8 C6 GAL 2 8.790 17.660 15.610 1.00 0.00 C ATOM 9 H62 GAL 2 7.870 18.070 15.190 1.00 0.00 H ATOM 10 H61 GAL 2 9.540 18.440 15.490 1.00 0.00 H ATOM 11 O6 GAL 2 8.580 17.420 17.070 1.00 0.00 O ATOM 12 H6O GAL 2 9.050 18.020 17.650 1.00 0.00 H ATOM 13 C4 GAL 2 9.420 16.470 13.410 1.00 0.00 C ATOM 14 H4 GAL 2 10.300 17.110 13.500 1.00 0.00 H ATOM 15 O4 GAL 2 8.410 17.210 12.700 1.00 0.00 O ATOM 16 H4O GAL 2 8.830 17.770 12.040 1.00 0.00 H ATOM 17 C3 GAL 2 9.740 15.140 12.790 1.00 0.00 C ATOM 18 H3 GAL 2 10.700 14.780 13.160 1.00 0.00 H ATOM 19 C2 GAL 2 8.620 14.140 13.050 1.00 0.00 C ATOM 20 H2 GAL 2 7.830 14.500 12.390 1.00 0.00 H ATOM 21 O2 GAL 2 9.140 12.830 12.740 1.00 0.00 O ATOM 22 H2O GAL 2 8.600 12.480 12.030 1.00 0.00 H ATOM 23 O3 GAL 2 9.790 15.440 11.350 1.00 0.00 O ATOM 24 C1 MAN 3 11.080 15.300 10.720 1.00 0.00 C ATOM 25 H1 MAN 3 11.580 14.400 11.080 1.00 0.00 H ATOM 26 O5 MAN 3 11.880 16.460 11.100 1.00 0.00 O ATOM 27 C5 MAN 3 13.240 16.570 10.440 1.00 0.00 C ATOM 28 H5 MAN 3 13.870 15.770 10.830 1.00 0.00 H ATOM 29 C4 MAN 3 13.140 16.500 8.890 1.00 0.00 C ATOM 30 H4 MAN 3 12.730 17.420 8.490 1.00 0.00 H ATOM 31 O4 MAN 3 14.510 16.310 8.400 1.00 0.00 O ATOM 32 H4O MAN 3 14.480 15.960 7.510 1.00 0.00 H ATOM 33 C3 MAN 3 12.300 15.250 8.470 1.00 0.00 C ATOM 34 H3 MAN 3 12.810 14.330 8.760 1.00 0.00 H ATOM 35 O3 MAN 3 12.030 15.200 7.060 1.00 0.00 O ATOM 36 H3O MAN 3 12.310 14.340 6.730 1.00 0.00 H ATOM 37 C2 MAN 3 11.000 15.330 9.180 1.00 0.00 C ATOM 38 H2 MAN 3 10.440 14.410 9.010 1.00 0.00 H ATOM 39 O2 MAN 3 10.260 16.500 8.680[cell cut: 4416 characters, first 2000 kept]