G32141CC
has sequence: WURCS=2.0/3,3,2/[a211h-1a_1-5][a2122h-1b_1-5][a2211m-1a_1-5]/1-2-3/a2-b1_b6-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411403D 61 63 0 0 1 0 0 0 0 0999 V2000 4.2100 8.4500 15.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 7.9700 16.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 7.9100 16.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0200 7.4700 16.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 6.9900 17.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 7.6000 18.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 7.7100 18.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 6.8000 19.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 8.9100 19.3900 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8100 8.7200 19.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 9.3600 20.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 9.0700 21.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 9.9000 18.2000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3900 10.7900 18.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 10.3000 17.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 11.1700 17.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 9.3300 17.0700 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5200 9.9400 16.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 9.6200 17.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 9.6700 16.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5000 10.2400 15.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 8.2300 15.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1600 8.0200 14.5900 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4800 8.3900 13.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4200 8.9300 14.5700 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0700 8.5400 15.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9700 8.9200 13.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8500 9.2900 13.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0400 10.3000 15.1100 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4100 10.7900 14.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2400 11.0900 15.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7600 11.0300 14.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 10.3500 16.4600 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7700 9.7800 17.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 11.6700 16.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 11.9000 16.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 6.5200 14.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 6.3200 13.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 5.9800 14.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 6.0900 15.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 [cell cut: 4106 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-(1-6)-alpha-D-glucopyranose-(1-2)-alpha-L-arabinopyranose" 458.412 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 ARA "L-saccharide, alpha linking" . alpha-L-arabinopyranose "alpha-L-arabinose; L-arabinose; arabinose" "C5 H10 O5" 150.130 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[cell cut: 13134 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 2aA A 2 1.43 LINK O2 2aA A 2 C1 6GB A 3 1.46 LINK O6 6GB A 3 C1 0hA A 4 1.46 ATOM 1 HO1 ROH 1 4.210 8.450 15.180 1.00 0.00 H ATOM 2 O1 ROH 1 4.140 7.970 16.010 1.00 0.00 O ATOM 3 C1 ARA 2 5.310 7.910 16.700 1.00 0.00 C ATOM 4 H1 ARA 2 6.020 7.470 16.000 1.00 0.00 H ATOM 5 O5 ARA 2 5.150 6.990 17.870 1.00 0.00 O ATOM 6 C5 ARA 2 4.300 7.600 18.880 1.00 0.00 C ATOM 7 H5A ARA 2 3.270 7.710 18.530 1.00 0.00 H ATOM 8 H5E ARA 2 4.280 6.800 19.620 1.00 0.00 H ATOM 9 C4 ARA 2 4.780 8.910 19.390 1.00 0.00 C ATOM 10 H4 ARA 2 5.810 8.720 19.680 1.00 0.00 H ATOM 11 O4 ARA 2 4.020 9.360 20.600 1.00 0.00 O ATOM 12 H4O ARA 2 4.510 9.070 21.370 1.00 0.00 H ATOM 13 C3 ARA 2 4.830 9.900 18.200 1.00 0.00 C ATOM 14 H3 ARA 2 5.390 10.790 18.490 1.00 0.00 H ATOM 15 O3 ARA 2 3.490 10.300 17.800 1.00 0.00 O ATOM 16 H3O ARA 2 3.490 11.170 17.400 1.00 0.00 H ATOM 17 C2 ARA 2 5.680 9.330 17.070 1.00 0.00 C ATOM 18 H2 ARA 2 5.520 9.940 16.180 1.00 0.00 H ATOM 19 O2 ARA 2 7.130 9.620 17.360 1.00 0.00 O ATOM 20 C1 GLC 3 7.960 9.670 16.150 1.00 0.00 C ATOM 21 H1 GLC 3 7.500 10.240 15.350 1.00 0.00 H ATOM 22 O5 GLC 3 8.220 8.230 15.760 1.00 0.00 O ATOM 23 C5 GLC 3 9.160 8.020 14.590 1.00 0.00 C ATOM 24 H5 GLC 3 8.480 8.390 13.820 1.00 0.00 H ATOM 25 C4 GLC 3 10.420 8.930 14.570 1.00 0.00 C ATOM 26 H4 GLC 3 11.070 8.540 15.350 1.00 0.00 H ATOM 27 O4 GLC 3 10.970 8.920 13.200 1.00 0.00 O ATOM 28 H4O GLC 3 11.850 9.290 13.240 1.00 0.00 H ATOM 29 C3 GLC 3 10.040 10.300 15.110 1.00 0.00 C ATOM 30 H3 GLC 3 9.410 10.790 14.360 1.00 0.00 H ATOM 31 O3 GLC 3 11.240 11.090 15.240 1.00 0.00 O ATOM 32 H3O GLC 3 11.760 11.030 14.430 1.00 0.00 H ATOM 33 C2 GLC 3 9.250 10.350 16.460 1.00 0.00 C ATOM 34 H2 GLC 3 9.770 9.780 17.230 1.00 0.00 H ATOM 35 O2 GLC 3 8.930 11.670 16.950 1.00 0.00 O ATOM 36 H2O GLC 3 8.030 11.900 16.700 1.00 0.00 H ATOM 37 C6 GLC 3 9.530 6.520 14.530 1.00 0.00 C ATOM 38 H62 GLC 3 10.120 6.320 13.630 1.00 0.00 H ATOM 39 H61 GLC 3 8.590 5.980 14.410 1.00 0.00 H ATOM 40 O6 G[cell cut: 4027 characters, first 2000 kept]