G18295ZX
has sequence: WURCS=2.0/2,4,3/[a1122h-1a_1-5][a212h-1b_1-5]/1-2-1-2/a2-b1_a3-c1_c2-d1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412193D 79 82 0 0 1 0 0 0 0 0999 V2000 32.3900 11.3100 24.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4500 11.2400 24.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8900 11.8600 23.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 31.4700 11.5000 22.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0700 13.3900 23.3000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.0700 13.5800 23.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0500 14.1500 24.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2200 13.8500 25.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6200 13.7300 23.8200 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4000 14.0600 22.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5800 12.2300 23.9900 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7700 11.9200 25.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1200 11.6200 23.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6300 11.9400 24.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7900 12.2400 22.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1400 10.1700 23.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8000 9.8200 23.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5100 11.4800 23.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7200 14.3700 24.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6800 15.2800 24.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1900 15.6200 23.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0000 13.7900 21.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2400 13.4800 21.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 32.7900 12.6600 21.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 33.0900 14.6400 21.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3400 14.6500 20.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8100 15.6300 20.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9700 13.8000 20.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 33.9300 14.3900 19.0200 C 0 0 1 0 0 0 0 0 0 0 0 0 33.1500 15.0500 18.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0900 14.4200 18.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6900 14.7000 17.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3500 12.9900 18.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 34.0000 12.1700 19.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8700 12.8500 17.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6800 12.5700 17.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0800 13.0100 19.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 31.2400 13.5300 19.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 31.6400 11.6400 19.7700 O 0 0 0 0 0 0 0 0[cell cut: 5426 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-xylopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-xylopyranose-(1-2)]alpha-D-mannopyranose" 606.526 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 MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "C6 H12 O6" 180.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? XYS "D-saccharide, alpha linking" . alpha-D-xylopyranose "alpha-D-xylose; D-xylose; xylose; XYLOPYRANOSE" "C5 H10 O5" 150.130 # 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: 14489 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 ZMA A 2 1.43 LINK O3 ZMA A 2 C1 2MA A 4 1.46 LINK O2 ZMA A 2 C1 0XB A 3 1.46 LINK O2 2MA A 4 C1 0XB A 5 1.46 ATOM 1 HO1 ROH 1 32.390 11.310 24.300 1.00 0.00 H ATOM 2 O1 ROH 1 31.450 11.240 24.500 1.00 0.00 O ATOM 3 C1 MAN 2 30.890 11.860 23.340 1.00 0.00 C ATOM 4 H1 MAN 2 31.470 11.500 22.480 1.00 0.00 H ATOM 5 C2 MAN 2 31.070 13.390 23.300 1.00 0.00 C ATOM 6 H2 MAN 2 32.070 13.580 23.680 1.00 0.00 H ATOM 7 C3 MAN 2 30.050 14.150 24.150 1.00 0.00 C ATOM 8 H3 MAN 2 30.220 13.850 25.180 1.00 0.00 H ATOM 9 C4 MAN 2 28.620 13.730 23.820 1.00 0.00 C ATOM 10 H4 MAN 2 28.400 14.060 22.810 1.00 0.00 H ATOM 11 C5 MAN 2 28.580 12.230 23.990 1.00 0.00 C ATOM 12 H5 MAN 2 28.770 11.920 25.020 1.00 0.00 H ATOM 13 C6 MAN 2 27.120 11.620 23.820 1.00 0.00 C ATOM 14 H62 MAN 2 26.630 11.940 24.740 1.00 0.00 H ATOM 15 H61 MAN 2 26.790 12.240 22.980 1.00 0.00 H ATOM 16 O6 MAN 2 27.140 10.170 23.830 1.00 0.00 O ATOM 17 H6O MAN 2 27.800 9.820 23.220 1.00 0.00 H ATOM 18 O5 MAN 2 29.510 11.480 23.170 1.00 0.00 O ATOM 19 O4 MAN 2 27.720 14.370 24.740 1.00 0.00 O ATOM 20 H4O MAN 2 27.680 15.280 24.440 1.00 0.00 H ATOM 21 O3 MAN 2 30.190 15.620 23.910 1.00 0.00 O ATOM 22 O2 MAN 2 31.000 13.790 21.870 1.00 0.00 O ATOM 23 C1 XYS 3 32.240 13.480 21.150 1.00 0.00 C ATOM 24 H1 XYS 3 32.790 12.660 21.620 1.00 0.00 H ATOM 25 O5 XYS 3 33.090 14.640 21.310 1.00 0.00 O ATOM 26 C5 XYS 3 34.340 14.650 20.470 1.00 0.00 C ATOM 27 H5E XYS 3 34.810 15.630 20.540 1.00 0.00 H ATOM 28 H5A XYS 3 34.970 13.800 20.710 1.00 0.00 H ATOM 29 C4 XYS 3 33.930 14.390 19.020 1.00 0.00 C ATOM 30 H4 XYS 3 33.150 15.050 18.620 1.00 0.00 H ATOM 31 O4 XYS 3 35.090 14.420 18.100 1.00 0.00 O ATOM 32 H4O XYS 3 34.690 14.700 17.280 1.00 0.00 H ATOM 33 C3 XYS 3 33.350 12.990 18.850 1.00 0.00 C ATOM 34 H3 XYS 3 34.000 12.170 19.130 1.00 0.00 H ATOM 35 O3 XYS 3 32.870 12.850 17.430 1.00 0.00 O ATOM 36 H3O XYS 3 33.680 12.570 17.010 1.00 0.00 H ATOM 37 C2 XYS 3 32.080 13.010 19.690 1.00 0.00 C ATOM 38 H2 XYS 3 31.240[cell cut: 5346 characters, first 2000 kept]