G75332ZX
has sequence: WURCS=2.0/2,3,2/[a2112h-1a_1-5][a2112h-1b_1-5]/1-2-1/a4-b1_b4-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412283D 66 68 0 0 1 0 0 0 0 0999 V2000 19.9500 10.7900 15.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0000 10.8500 15.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5400 9.5400 15.9600 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3700 8.8600 15.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 9.4700 14.9400 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9900 8.4400 14.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8200 9.7000 13.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1000 9.5000 12.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2000 10.4200 15.3300 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6000 11.4300 15.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1400 10.1900 14.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4000 10.7900 14.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8200 10.1100 16.7900 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1800 10.8900 17.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9600 10.2100 17.8100 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3700 11.2100 17.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5100 9.7300 19.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6600 10.2800 19.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3400 8.6600 19.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6400 9.8700 20.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4000 9.5900 19.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0500 9.3300 17.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 8.7200 16.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7400 8.7400 17.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1800 9.3300 16.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5600 9.3400 18.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2600 8.9800 19.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4400 9.2700 18.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 9.7300 20.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8900 9.6400 21.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 9.3700 20.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7700 11.0900 20.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9700 11.3400 20.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 7.4700 19.3700 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2200 7.4200 19.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 6.8900 17.9100 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1000 7.2000 17.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8400 5.4400 17.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5800 5.1100 18.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2100 7.2700 1[cell cut: 4475 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-(1-4)-beta-D-galactopyranose-(1-4)-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 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 _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_l[cell cut: 12877 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4LA A 2 1.43 LINK O4 4LA A 2 C1 4LB A 3 1.46 LINK O4 4LB A 3 C1 0LA A 4 1.46 ATOM 1 HO1 ROH 1 19.950 10.790 15.740 1.00 0.00 H ATOM 2 O1 ROH 1 19.000 10.850 15.850 1.00 0.00 O ATOM 3 C1 GAL 2 18.540 9.540 15.960 1.00 0.00 C ATOM 4 H1 GAL 2 19.370 8.860 15.750 1.00 0.00 H ATOM 5 C2 GAL 2 17.340 9.470 14.940 1.00 0.00 C ATOM 6 H2 GAL 2 16.990 8.440 14.870 1.00 0.00 H ATOM 7 O2 GAL 2 17.820 9.700 13.540 1.00 0.00 O ATOM 8 H2O GAL 2 17.100 9.500 12.940 1.00 0.00 H ATOM 9 C3 GAL 2 16.200 10.420 15.330 1.00 0.00 C ATOM 10 H3 GAL 2 16.600 11.430 15.240 1.00 0.00 H ATOM 11 O3 GAL 2 15.140 10.190 14.400 1.00 0.00 O ATOM 12 H3O GAL 2 14.400 10.790 14.560 1.00 0.00 H ATOM 13 C4 GAL 2 15.820 10.110 16.790 1.00 0.00 C ATOM 14 H4 GAL 2 15.180 10.890 17.200 1.00 0.00 H ATOM 15 C5 GAL 2 16.960 10.210 17.810 1.00 0.00 C ATOM 16 H5 GAL 2 17.370 11.210 17.910 1.00 0.00 H ATOM 17 C6 GAL 2 16.510 9.730 19.220 1.00 0.00 C ATOM 18 H62 GAL 2 15.660 10.280 19.630 1.00 0.00 H ATOM 19 H61 GAL 2 16.340 8.660 19.080 1.00 0.00 H ATOM 20 O6 GAL 2 17.640 9.870 20.140 1.00 0.00 O ATOM 21 H6O GAL 2 18.400 9.590 19.630 1.00 0.00 H ATOM 22 O5 GAL 2 18.050 9.330 17.320 1.00 0.00 O ATOM 23 O4 GAL 2 15.210 8.720 16.880 1.00 0.00 O ATOM 24 C1 GAL 3 13.740 8.740 17.150 1.00 0.00 C ATOM 25 H1 GAL 3 13.180 9.330 16.430 1.00 0.00 H ATOM 26 O5 GAL 3 13.560 9.340 18.500 1.00 0.00 O ATOM 27 C5 GAL 3 12.260 8.980 19.190 1.00 0.00 C ATOM 28 H5 GAL 3 11.440 9.270 18.540 1.00 0.00 H ATOM 29 C6 GAL 3 12.050 9.730 20.510 1.00 0.00 C ATOM 30 H62 GAL 3 12.890 9.640 21.210 1.00 0.00 H ATOM 31 H61 GAL 3 11.140 9.370 20.980 1.00 0.00 H ATOM 32 O6 GAL 3 11.770 11.090 20.190 1.00 0.00 O ATOM 33 H6O GAL 3 10.970 11.340 20.670 1.00 0.00 H ATOM 34 C4 GAL 3 12.170 7.470 19.370 1.00 0.00 C ATOM 35 H4 GAL 3 11.220 7.420 19.900 1.00 0.00 H ATOM 36 C3 GAL 3 12.050 6.890 17.910 1.00 0.00 C ATOM 37 H3 GAL 3 11.100 7.200 17.480 1.00 0.00 H ATOM 38 O3 GAL 3 11.840 5.440 17.890 1.00 0.00 O ATOM 39 H3O GAL 3 12.580 5.11[cell cut: 4397 characters, first 2000 kept]