G40572VX
has sequence: WURCS=2.0/2,3,2/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2-2/a2-b1_a3-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412573D 66 68 0 0 1 0 0 0 0 0999 V2000 17.9100 10.7200 11.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1400 10.7600 10.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4800 9.9100 9.5200 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8000 8.9500 9.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5900 10.6100 8.7000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0600 9.9400 7.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0100 11.8800 8.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5500 12.4900 8.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8400 11.5600 7.1800 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2500 10.9200 6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7200 10.8900 8.0100 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3300 11.5800 8.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5100 10.4300 7.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2600 11.1900 6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6900 9.4300 6.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 10.3500 8.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 9.9500 8.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2400 9.7100 8.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3200 12.7500 6.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0900 13.3000 7.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9500 12.7700 7.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6400 11.1100 9.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9300 10.5200 9.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2900 10.6500 8.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7900 9.0400 9.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0200 8.3200 9.8300 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4900 8.4500 8.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7600 6.7900 9.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9900 6.5900 10.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6000 6.2100 10.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3000 6.2200 8.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5100 5.2900 8.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9400 8.8300 10.9100 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8700 8.2600 10.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2100 8.6700 12.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3300 7.7600 12.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2400 10.3400 10.7600 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8600 10.6600 9.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8300 10.8600 11.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6000 10.3400 12.7100 H 0 0 0 0 0 0[cell cut: 4461 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-(1-2)-[beta-D-galactopyranose-(1-3)]alpha-D-glucopyranose" 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 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_i[cell cut: 12822 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 ZGA A 2 1.43 LINK O3 ZGA A 2 C1 0LB A 4 1.46 LINK O2 ZGA A 2 C1 0LB A 3 1.46 ATOM 1 HO1 ROH 1 17.910 10.720 11.210 1.00 0.00 H ATOM 2 O1 ROH 1 17.140 10.760 10.630 1.00 0.00 O ATOM 3 C1 GLC 2 17.480 9.910 9.520 1.00 0.00 C ATOM 4 H1 GLC 2 17.800 8.950 9.930 1.00 0.00 H ATOM 5 C2 GLC 2 18.590 10.610 8.700 1.00 0.00 C ATOM 6 H2 GLC 2 19.060 9.940 7.970 1.00 0.00 H ATOM 7 C3 GLC 2 18.010 11.880 8.130 1.00 0.00 C ATOM 8 H3 GLC 2 17.550 12.490 8.900 1.00 0.00 H ATOM 9 C4 GLC 2 16.840 11.560 7.180 1.00 0.00 C ATOM 10 H4 GLC 2 17.250 10.920 6.400 1.00 0.00 H ATOM 11 C5 GLC 2 15.720 10.890 8.010 1.00 0.00 C ATOM 12 H5 GLC 2 15.330 11.580 8.760 1.00 0.00 H ATOM 13 C6 GLC 2 14.510 10.430 7.150 1.00 0.00 C ATOM 14 H62 GLC 2 14.260 11.190 6.420 1.00 0.00 H ATOM 15 H61 GLC 2 14.690 9.430 6.740 1.00 0.00 H ATOM 16 O6 GLC 2 13.400 10.350 8.110 1.00 0.00 O ATOM 17 H6O GLC 2 13.650 9.950 8.940 1.00 0.00 H ATOM 18 O5 GLC 2 16.240 9.710 8.700 1.00 0.00 O ATOM 19 O4 GLC 2 16.320 12.750 6.570 1.00 0.00 O ATOM 20 H4O GLC 2 16.090 13.300 7.310 1.00 0.00 H ATOM 21 O3 GLC 2 18.950 12.770 7.430 1.00 0.00 O ATOM 22 O2 GLC 2 19.640 11.110 9.650 1.00 0.00 O ATOM 23 C1 GAL 3 20.930 10.520 9.480 1.00 0.00 C ATOM 24 H1 GAL 3 21.290 10.650 8.460 1.00 0.00 H ATOM 25 O5 GAL 3 20.790 9.040 9.760 1.00 0.00 O ATOM 26 C5 GAL 3 22.020 8.320 9.830 1.00 0.00 C ATOM 27 H5 GAL 3 22.490 8.450 8.850 1.00 0.00 H ATOM 28 C6 GAL 3 21.760 6.790 9.920 1.00 0.00 C ATOM 29 H62 GAL 3 20.990 6.590 10.660 1.00 0.00 H ATOM 30 H61 GAL 3 22.600 6.210 10.320 1.00 0.00 H ATOM 31 O6 GAL 3 21.300 6.220 8.680 1.00 0.00 O ATOM 32 H6O GAL 3 21.510 5.290 8.680 1.00 0.00 H ATOM 33 C4 GAL 3 22.940 8.830 10.910 1.00 0.00 C ATOM 34 H4 GAL 3 23.870 8.260 10.970 1.00 0.00 H ATOM 35 O4 GAL 3 22.210 8.670 12.120 1.00 0.00 O ATOM 36 H4O GAL 3 22.330 7.760 12.390 1.00 0.00 H ATOM 37 C3 GAL 3 23.240 10.340 10.760 1.00 0.00 C ATOM 38 H3 GAL 3 23.860 10.660 9.920 1.00 0.00 H ATOM 39 O3 GAL 3 23.830 10.860 11.940 1.00 0.00 O A[cell cut: 4383 characters, first 2000 kept]