G19367XO
has sequence: WURCS=2.0/3,6,5/[a2122h-1b_1-5][a2122h-1a_1-5][a1122h-1a_1-5]/1-1-2-3-1-3/a3-b1_a6-f1_b3-c1_c3-d1_c6-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410243D 129134 0 0 1 0 0 0 0 0999 V2000 8.3300 16.1900 13.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 16.3100 14.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 16.5600 15.2400 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9000 15.6200 15.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 17.1500 16.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 17.5800 17.4300 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8000 16.7500 17.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5900 18.2500 18.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 18.5600 19.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 17.6300 19.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 19.4600 18.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0200 18.6000 16.5700 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4300 19.5200 16.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 19.0100 17.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 19.5400 16.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 18.1300 15.2000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1600 17.3100 15.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2600 17.6200 14.4000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7300 18.5700 14.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6800 17.1300 13.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9100 17.8900 12.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0200 19.2500 14.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 19.6400 14.5400 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0600 18.7700 14.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4900 20.5000 15.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8600 21.1100 16.0600 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5100 20.2300 16.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6700 21.8200 17.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7400 22.4000 17.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5400 22.4400 17.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6000 20.8200 18.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0700 21.1600 19.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4200 21.9200 14.8400 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8100 22.8200 14.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7800 22.1900 15.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0500 22.6500 14.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1900 21.1200 13.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7800 20.2100 13.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7800 20.5300 13.3500 C 0 0 1 0 0 0 0 0 0 0 0 [cell cut: 8773 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-mannopyranose-(1-3)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-glucopyranose" 990.860 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 MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "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_i[cell cut: 18658 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 VGB A 2 1.43 LINK O6 VGB A 2 C1 0MA A 7 1.46 LINK O3 VGB A 2 C1 3GB A 3 1.46 LINK O3 3GB A 3 C1 VGA A 4 1.46 LINK O6 VGA A 4 C1 0GB A 6 1.46 LINK O3 VGA A 4 C1 0MA A 5 1.46 ATOM 1 HO1 ROH 1 8.330 16.190 13.700 1.00 0.00 H ATOM 2 O1 ROH 1 8.150 16.310 14.640 1.00 0.00 O ATOM 3 C1 GLC 2 9.360 16.560 15.240 1.00 0.00 C ATOM 4 H1 GLC 2 9.900 15.620 15.340 1.00 0.00 H ATOM 5 O5 GLC 2 9.040 17.150 16.600 1.00 0.00 O ATOM 6 C5 GLC 2 10.170 17.580 17.430 1.00 0.00 C ATOM 7 H5 GLC 2 10.800 16.750 17.750 1.00 0.00 H ATOM 8 C6 GLC 2 9.590 18.250 18.710 1.00 0.00 C ATOM 9 H62 GLC 2 10.460 18.560 19.290 1.00 0.00 H ATOM 10 H61 GLC 2 9.030 17.630 19.410 1.00 0.00 H ATOM 11 O6 GLC 2 8.950 19.460 18.390 1.00 0.00 O ATOM 12 C4 GLC 2 11.020 18.600 16.570 1.00 0.00 C ATOM 13 H4 GLC 2 10.430 19.520 16.500 1.00 0.00 H ATOM 14 O4 GLC 2 12.110 19.010 17.430 1.00 0.00 O ATOM 15 H4O GLC 2 12.640 19.540 16.830 1.00 0.00 H ATOM 16 C3 GLC 2 11.450 18.130 15.200 1.00 0.00 C ATOM 17 H3 GLC 2 12.160 17.310 15.250 1.00 0.00 H ATOM 18 C2 GLC 2 10.260 17.620 14.400 1.00 0.00 C ATOM 19 H2 GLC 2 9.730 18.570 14.290 1.00 0.00 H ATOM 20 O2 GLC 2 10.680 17.130 13.160 1.00 0.00 O ATOM 21 H2O GLC 2 10.910 17.890 12.610 1.00 0.00 H ATOM 22 O3 GLC 2 12.020 19.250 14.380 1.00 0.00 O ATOM 23 C1 GLC 3 13.400 19.640 14.540 1.00 0.00 C ATOM 24 H1 GLC 3 14.060 18.770 14.600 1.00 0.00 H ATOM 25 O5 GLC 3 13.490 20.500 15.730 1.00 0.00 O ATOM 26 C5 GLC 3 14.860 21.110 16.060 1.00 0.00 C ATOM 27 H5 GLC 3 15.510 20.230 16.100 1.00 0.00 H ATOM 28 C6 GLC 3 14.670 21.820 17.410 1.00 0.00 C ATOM 29 H62 GLC 3 13.740 22.400 17.410 1.00 0.00 H ATOM 30 H61 GLC 3 15.540 22.440 17.630 1.00 0.00 H ATOM 31 O6 GLC 3 14.600 20.820 18.440 1.00 0.00 O ATOM 32 H6O GLC 3 14.070 21.160 19.160 1.00 0.00 H ATOM 33 C4 GLC 3 15.420 21.920 14.840 1.00 0.00 C ATOM 34 H4 GLC 3 14.810 22.820 14.830 1.00 0.00 H ATOM 35 O4 GLC 3 16.780 22.190 15.080 1.00 0.00 O ATOM 36 H4O GLC 3 17.050 22.650 14.280 1.00 0.00 H ATOM 37 C3 GLC 3 [cell cut: 8786 characters, first 2000 kept]