G95047FZ
has sequence: WURCS=2.0/2,3,2/[a2122h-1a_1-5][a2211m-1a_1-5]/1-2-2/a2-b1_b3-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412363D 64 66 0 0 1 0 0 0 0 0999 V2000 15.6900 15.2400 14.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 15.0600 14.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9700 16.3400 13.9800 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1000 16.8000 13.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1700 16.2800 13.0500 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3900 17.2300 12.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3700 15.8000 13.9000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2700 14.7200 14.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6200 16.6000 15.1400 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9900 17.5800 14.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3200 16.7400 16.0100 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0000 15.7700 16.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4100 17.7700 17.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2800 17.5000 17.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5200 18.7900 16.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2300 17.7000 18.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4500 17.8500 17.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2500 17.2300 15.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6600 15.9300 15.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3200 15.6100 15.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4800 15.9900 13.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5000 15.2500 12.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8900 15.2900 11.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9400 15.8500 11.0100 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1000 16.9100 10.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5400 15.6500 11.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1000 14.3000 11.4500 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5900 13.5700 12.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6700 14.3000 11.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 14.6000 12.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 13.3100 11.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 14.9500 11.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2300 13.6700 10.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5500 14.2000 9.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9900 12.2700 10.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7100 12.0200 10.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6800 13.8600 9.5500 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3100 13.1500 10.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1900 15.3000 9.6400 C 0 0 1 0 0 0 0 0 0[cell cut: 4365 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-rhamnopyranose-(1-3)-alpha-L-rhamnopyranose-(1-2)-alpha-D-glucopyranose" 472.438 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 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156 RAM "L-saccharide, alpha linking" . alpha-L-rhamnopyranose "alpha-L-rhamnose; 6-deoxy-alpha-L-mannopyranose; L-rhamnose; rhamnose" "C6 H12 O5" 164.156 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_co[cell cut: 12732 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 2GA A 2 1.43 LINK O2 2GA A 2 C1 3hA A 3 1.46 LINK O3 3hA A 3 C1 0hA A 4 1.46 ATOM 1 HO1 ROH 1 15.690 15.240 14.670 1.00 0.00 H ATOM 2 O1 ROH 1 16.620 15.060 14.530 1.00 0.00 O ATOM 3 C1 GLC 2 16.970 16.340 13.980 1.00 0.00 C ATOM 4 H1 GLC 2 16.100 16.800 13.520 1.00 0.00 H ATOM 5 C2 GLC 2 18.170 16.280 13.050 1.00 0.00 C ATOM 6 H2 GLC 2 18.390 17.230 12.550 1.00 0.00 H ATOM 7 C3 GLC 2 19.370 15.800 13.900 1.00 0.00 C ATOM 8 H3 GLC 2 19.270 14.720 14.000 1.00 0.00 H ATOM 9 C4 GLC 2 19.620 16.600 15.140 1.00 0.00 C ATOM 10 H4 GLC 2 19.990 17.580 14.850 1.00 0.00 H ATOM 11 C5 GLC 2 18.320 16.740 16.010 1.00 0.00 C ATOM 12 H5 GLC 2 18.000 15.770 16.390 1.00 0.00 H ATOM 13 C6 GLC 2 18.410 17.770 17.200 1.00 0.00 C ATOM 14 H62 GLC 2 19.280 17.500 17.800 1.00 0.00 H ATOM 15 H61 GLC 2 18.520 18.790 16.820 1.00 0.00 H ATOM 16 O6 GLC 2 17.230 17.700 18.010 1.00 0.00 O ATOM 17 H6O GLC 2 16.450 17.850 17.480 1.00 0.00 H ATOM 18 O5 GLC 2 17.250 17.230 15.090 1.00 0.00 O ATOM 19 O4 GLC 2 20.660 15.930 15.870 1.00 0.00 O ATOM 20 H4O GLC 2 21.320 15.610 15.250 1.00 0.00 H ATOM 21 O3 GLC 2 20.480 15.990 13.020 1.00 0.00 O ATOM 22 H3O GLC 2 20.500 15.250 12.410 1.00 0.00 H ATOM 23 O2 GLC 2 17.890 15.290 11.980 1.00 0.00 O ATOM 24 C1 RAM 3 16.940 15.850 11.010 1.00 0.00 C ATOM 25 H1 RAM 3 17.100 16.910 10.820 1.00 0.00 H ATOM 26 O5 RAM 3 15.540 15.650 11.420 1.00 0.00 O ATOM 27 C5 RAM 3 15.100 14.300 11.450 1.00 0.00 C ATOM 28 H5 RAM 3 15.590 13.570 12.080 1.00 0.00 H ATOM 29 C6 RAM 3 13.670 14.300 11.940 1.00 0.00 C ATOM 30 H61 RAM 3 13.620 14.600 12.980 1.00 0.00 H ATOM 31 H62 RAM 3 13.230 13.310 11.950 1.00 0.00 H ATOM 32 H63 RAM 3 12.980 14.950 11.390 1.00 0.00 H ATOM 33 C4 RAM 3 15.230 13.670 10.070 1.00 0.00 C ATOM 34 H4 RAM 3 14.550 14.200 9.400 1.00 0.00 H ATOM 35 O4 RAM 3 14.990 12.270 10.060 1.00 0.00 O ATOM 36 H4O RAM 3 14.710 12.020 10.950 1.00 0.00 H ATOM 37 C3 RAM 3 16.680 13.860 9.550 1.00 0.00 C ATOM 38 H3 RAM 3 17.310 13.150 10.090 1.00 0.00 H ATOM [cell cut: 4287 characters, first 2000 kept]