G56735GR
has sequence: WURCS=2.0/1,2,1/[a2211m-1a_1-5_3*OC_4*OC]/1-1/a2-b1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410373D 55 56 0 0 1 0 0 0 0 0999 V2000 8.8200 22.6000 20.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 23.3500 20.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 24.3200 21.5700 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8400 24.6200 20.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 23.8000 22.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 23.2700 23.8800 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2000 22.4800 23.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8300 22.6900 24.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 21.8100 24.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 22.2800 25.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 23.3700 25.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 24.4100 24.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5900 25.1200 24.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 23.9900 25.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 25.1600 23.1000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3500 24.5100 22.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 26.4200 23.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 25.4700 21.9200 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4700 25.5900 21.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 26.7300 22.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9800 27.6900 20.9100 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9300 27.8900 20.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 27.1400 19.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 27.0800 19.9100 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4400 26.4400 20.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 26.3400 18.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 26.4000 18.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 26.7400 17.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 25.3200 18.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7800 28.4600 20.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6600 29.0600 19.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2200 28.3700 20.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 29.0600 21.4000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4100 28.4900 22.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5600 29.1100 21.2800 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0500 29.4400 22.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 30.0400 20.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 30.8700 20.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 30.4300 21.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3900 30.5800[cell cut: 3838 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-(1-2)-alpha-L-rhamnopyranose" 310.297 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? 3 non-polymer syn "1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one" 242.230 4 ? ? ? ? # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 ROH 1 1 1 ROH ROH ? . C 3 MEX 1 4 4 MEX MEX ? . D 3 MEX 1 5 5 MEX MEX ? . E 3 MEX 1 6 6 MEX MEX ? . F 3 MEX 1 7 7 MEX MEX ? . # 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 MEX non-polymer . "1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one" ? "C13 H10 N2 O3" 242.230 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" ? ? ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag both _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id [cell cut: 14672 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 ThA A 2 1.43 LINK O4 ThA A 2 CH3 MEX A 7 1.46 LINK O3 ThA A 2 CH3 MEX A 6 1.46 LINK O2 ThA A 2 C1 WhA A 3 1.46 LINK O4 WhA A 3 CH3 MEX A 5 1.46 LINK O3 WhA A 3 CH3 MEX A 4 1.46 ATOM 1 HO1 ROH 1 8.820 22.600 20.680 1.00 0.00 H ATOM 2 O1 ROH 1 8.250 23.350 20.890 1.00 0.00 O ATOM 3 C1 RAM 2 9.020 24.320 21.570 1.00 0.00 C ATOM 4 H1 RAM 2 9.840 24.620 20.920 1.00 0.00 H ATOM 5 O5 RAM 2 9.670 23.800 22.790 1.00 0.00 O ATOM 6 C5 RAM 2 8.790 23.270 23.880 1.00 0.00 C ATOM 7 H5 RAM 2 8.200 22.480 23.420 1.00 0.00 H ATOM 8 C6 RAM 2 9.830 22.690 24.910 1.00 0.00 C ATOM 9 H61 RAM 2 10.310 21.810 24.500 1.00 0.00 H ATOM 10 H62 RAM 2 9.290 22.280 25.760 1.00 0.00 H ATOM 11 H63 RAM 2 10.610 23.370 25.270 1.00 0.00 H ATOM 12 C4 RAM 2 7.880 24.410 24.270 1.00 0.00 C ATOM 13 H4 RAM 2 8.590 25.120 24.700 1.00 0.00 H ATOM 14 O4 RAM 2 6.900 23.990 25.320 1.00 0.00 O ATOM 15 C3 RAM 2 7.170 25.160 23.100 1.00 0.00 C ATOM 16 H3 RAM 2 6.350 24.510 22.810 1.00 0.00 H ATOM 17 O3 RAM 2 6.500 26.420 23.580 1.00 0.00 O ATOM 18 C2 RAM 2 8.120 25.470 21.920 1.00 0.00 C ATOM 19 H2 RAM 2 7.470 25.590 21.050 1.00 0.00 H ATOM 20 O2 RAM 2 9.000 26.730 22.100 1.00 0.00 O ATOM 21 C1 RAM 3 8.980 27.690 20.910 1.00 0.00 C ATOM 22 H1 RAM 3 7.930 27.890 20.660 1.00 0.00 H ATOM 23 O5 RAM 3 9.670 27.140 19.720 1.00 0.00 O ATOM 24 C5 RAM 3 11.170 27.080 19.910 1.00 0.00 C ATOM 25 H5 RAM 3 11.440 26.440 20.750 1.00 0.00 H ATOM 26 C6 RAM 3 11.730 26.340 18.720 1.00 0.00 C ATOM 27 H61 RAM 3 12.810 26.400 18.640 1.00 0.00 H ATOM 28 H62 RAM 3 11.390 26.740 17.770 1.00 0.00 H ATOM 29 H63 RAM 3 11.340 25.320 18.780 1.00 0.00 H ATOM 30 C4 RAM 3 11.780 28.460 20.130 1.00 0.00 C ATOM 31 H4 RAM 3 11.660 29.060 19.230 1.00 0.00 H ATOM 32 O4 RAM 3 13.220 28.370 20.540 1.00 0.00 O ATOM 33 C3 RAM 3 11.080 29.060 21.400 1.00 0.00 C ATOM 34 H3 RAM 3 11.410 28.490 22.270 1.00 0.00 H ATOM 35 C2 RAM 3 9.560 29.110 21.280 1.00 0.00 C ATOM 36 H2 RAM 3 9.050 29.440 22.190 1.00 0.00 H ATOM 37 O2 RAM 3 9.230 30.040[cell cut: 3780 characters, first 2000 kept]