G27606TH
has sequence: WURCS=2.0/2,3,2/[a2122h-1b_1-5][a212h-1b_1-5]/1-2-1/a4-b1_a6-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412353D 62 64 0 0 1 0 0 0 0 0999 V2000 12.4100 1.1200 22.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 1.7200 22.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7500 2.2100 21.3000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1400 1.3500 20.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7600 3.1600 21.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 3.6800 20.5600 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8200 2.8000 20.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8000 4.3200 20.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 4.4800 20.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5600 3.7300 21.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5300 5.5600 21.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5300 4.5500 19.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1600 5.3500 20.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 3.7000 19.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7900 3.0500 18.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3900 4.5600 18.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7100 5.4400 18.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 2.9300 20.4600 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1900 3.6900 21.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9200 1.9900 19.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0400 2.3700 19.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 5.1000 18.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2700 6.5800 18.6500 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5300 6.9000 19.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9700 7.1300 18.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 8.6200 18.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0200 8.9000 17.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 9.1900 18.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0900 9.0000 16.9400 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8300 8.5600 15.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1000 10.4200 16.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8400 10.8600 17.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4400 8.4100 17.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7700 8.8300 18.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3900 8.7500 16.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1200 8.1300 16.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3100 6.9300 17.6300 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0000 6.4600 16.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5200 6.2800 18.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3300 5.3500 17.9600 H 0 [cell cut: 4204 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-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose" 474.412 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 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_conn.pdbx_ptnr1_standard_comp[cell cut: 12928 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 UGB A 2 1.43 LINK O6 UGB A 2 C1 0GB A 4 1.46 LINK O4 UGB A 2 C1 0XB A 3 1.46 ATOM 1 HO1 ROH 1 12.410 1.120 22.270 1.00 0.00 H ATOM 2 O1 ROH 1 13.110 1.720 22.540 1.00 0.00 O ATOM 3 C1 GLC 2 13.750 2.210 21.300 1.00 0.00 C ATOM 4 H1 GLC 2 14.140 1.350 20.740 1.00 0.00 H ATOM 5 O5 GLC 2 14.760 3.160 21.640 1.00 0.00 O ATOM 6 C5 GLC 2 15.500 3.680 20.560 1.00 0.00 C ATOM 7 H5 GLC 2 15.820 2.800 20.010 1.00 0.00 H ATOM 8 C6 GLC 2 16.800 4.320 20.970 1.00 0.00 C ATOM 9 H62 GLC 2 17.340 4.480 20.030 1.00 0.00 H ATOM 10 H61 GLC 2 17.560 3.730 21.490 1.00 0.00 H ATOM 11 O6 GLC 2 16.530 5.560 21.720 1.00 0.00 O ATOM 12 C4 GLC 2 14.530 4.550 19.740 1.00 0.00 C ATOM 13 H4 GLC 2 14.160 5.350 20.380 1.00 0.00 H ATOM 14 C3 GLC 2 13.440 3.700 19.270 1.00 0.00 C ATOM 15 H3 GLC 2 13.790 3.050 18.470 1.00 0.00 H ATOM 16 O3 GLC 2 12.390 4.560 18.830 1.00 0.00 O ATOM 17 H3O GLC 2 12.710 5.440 18.630 1.00 0.00 H ATOM 18 C2 GLC 2 12.750 2.930 20.460 1.00 0.00 C ATOM 19 H2 GLC 2 12.190 3.690 21.000 1.00 0.00 H ATOM 20 O2 GLC 2 11.920 1.990 19.910 1.00 0.00 O ATOM 21 H2O GLC 2 11.040 2.370 19.970 1.00 0.00 H ATOM 22 O4 GLC 2 15.210 5.100 18.630 1.00 0.00 O ATOM 23 C1 XYS 3 15.270 6.580 18.650 1.00 0.00 C ATOM 24 H1 XYS 3 15.530 6.900 19.660 1.00 0.00 H ATOM 25 O5 XYS 3 13.970 7.130 18.160 1.00 0.00 O ATOM 26 C5 XYS 3 14.000 8.620 18.030 1.00 0.00 C ATOM 27 H5E XYS 3 13.020 8.900 17.650 1.00 0.00 H ATOM 28 H5A XYS 3 14.130 9.190 18.950 1.00 0.00 H ATOM 29 C4 XYS 3 15.090 9.000 16.940 1.00 0.00 C ATOM 30 H4 XYS 3 14.830 8.560 15.970 1.00 0.00 H ATOM 31 O4 XYS 3 15.100 10.420 16.660 1.00 0.00 O ATOM 32 H4O XYS 3 15.840 10.860 17.090 1.00 0.00 H ATOM 33 C3 XYS 3 16.440 8.410 17.340 1.00 0.00 C ATOM 34 H3 XYS 3 16.770 8.830 18.290 1.00 0.00 H ATOM 35 O3 XYS 3 17.390 8.750 16.310 1.00 0.00 O ATOM 36 H3O XYS 3 18.120 8.130 16.320 1.00 0.00 H ATOM 37 C2 XYS 3 16.310 6.930 17.630 1.00 0.00 C ATOM 38 H2 XYS 3 16.000 6.460 16.700 1.00 0.00 H ATOM 39 O2 XYS 3 17.520 6.280 18.020 1.0[cell cut: 4125 characters, first 2000 kept]