G77807VD
has sequence: WURCS=2.0/2,3,2/[a2122h-1b_1-5][a2211m-1a_1-5]/1-2-1/a4-b1_b4-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410323D 65 67 0 0 1 0 0 0 0 0999 V2000 27.0600 9.2500 33.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5200 10.0900 33.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0500 10.7100 32.4700 C 0 0 2 0 0 0 0 0 0 0 0 0 27.4000 11.7400 32.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5600 10.6600 32.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0500 11.4200 31.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4500 12.4300 31.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5200 11.4500 31.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0900 10.4900 31.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1400 11.7300 30.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3400 12.5200 32.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8100 12.0800 33.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4800 10.5700 30.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 25.2100 9.5400 30.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0100 10.7200 29.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 27.3000 11.7600 29.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3900 9.8200 28.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1600 8.8900 28.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5600 10.1300 31.2200 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3200 9.0700 31.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9700 10.4500 31.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0400 11.4100 31.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8200 11.0700 28.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7200 10.2400 28.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9800 10.0300 29.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1500 9.0300 27.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9100 9.1000 26.5700 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8900 9.5300 26.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1700 7.6200 26.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9900 7.4500 25.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3300 7.2100 25.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2200 6.9800 26.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1900 9.8300 25.4300 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2300 9.4200 25.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8100 11.2600 26.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7300 11.7800 26.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9900 11.9600 25.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2200 11.3900 24.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9800 11.1000 27.3300 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8[cell cut: 4430 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-glucopyranose-(1-4)-alpha-L-rhamnopyranose-(1-4)-alpha-D-glucopyranose" 488.438 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 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_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_con[cell cut: 13167 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4GB A 2 1.43 LINK O4 4GB A 2 C1 4hA A 3 1.46 LINK O4 4hA A 3 C1 0GB A 4 1.46 ATOM 1 HO1 ROH 1 27.060 9.250 33.700 1.00 0.00 H ATOM 2 O1 ROH 1 27.520 10.090 33.620 1.00 0.00 O ATOM 3 C1 GLC 2 27.050 10.710 32.470 1.00 0.00 C ATOM 4 H1 GLC 2 27.400 11.740 32.530 1.00 0.00 H ATOM 5 O5 GLC 2 25.560 10.660 32.500 1.00 0.00 O ATOM 6 C5 GLC 2 25.050 11.420 31.340 1.00 0.00 C ATOM 7 H5 GLC 2 25.450 12.430 31.270 1.00 0.00 H ATOM 8 C6 GLC 2 23.520 11.450 31.570 1.00 0.00 C ATOM 9 H62 GLC 2 23.090 10.490 31.850 1.00 0.00 H ATOM 10 H61 GLC 2 23.140 11.730 30.580 1.00 0.00 H ATOM 11 O6 GLC 2 23.340 12.520 32.560 1.00 0.00 O ATOM 12 H6O GLC 2 22.810 12.080 33.240 1.00 0.00 H ATOM 13 C4 GLC 2 25.480 10.570 30.070 1.00 0.00 C ATOM 14 H4 GLC 2 25.210 9.540 30.270 1.00 0.00 H ATOM 15 C3 GLC 2 27.010 10.720 29.920 1.00 0.00 C ATOM 16 H3 GLC 2 27.300 11.760 29.740 1.00 0.00 H ATOM 17 O3 GLC 2 27.390 9.820 28.810 1.00 0.00 O ATOM 18 H3O GLC 2 27.160 8.890 28.890 1.00 0.00 H ATOM 19 C2 GLC 2 27.560 10.130 31.220 1.00 0.00 C ATOM 20 H2 GLC 2 27.320 9.070 31.260 1.00 0.00 H ATOM 21 O2 GLC 2 28.970 10.450 31.090 1.00 0.00 O ATOM 22 H2O GLC 2 29.040 11.410 31.160 1.00 0.00 H ATOM 23 O4 GLC 2 24.820 11.070 28.880 1.00 0.00 O ATOM 24 C1 RAM 3 23.720 10.240 28.320 1.00 0.00 C ATOM 25 H1 RAM 3 22.980 10.030 29.100 1.00 0.00 H ATOM 26 O5 RAM 3 24.150 9.030 27.810 1.00 0.00 O ATOM 27 C5 RAM 3 24.910 9.100 26.570 1.00 0.00 C ATOM 28 H5 RAM 3 25.890 9.530 26.770 1.00 0.00 H ATOM 29 C6 RAM 3 25.170 7.620 26.070 1.00 0.00 C ATOM 30 H61 RAM 3 25.990 7.450 25.370 1.00 0.00 H ATOM 31 H62 RAM 3 24.330 7.210 25.500 1.00 0.00 H ATOM 32 H63 RAM 3 25.220 6.980 26.950 1.00 0.00 H ATOM 33 C4 RAM 3 24.190 9.830 25.430 1.00 0.00 C ATOM 34 H4 RAM 3 23.230 9.420 25.110 1.00 0.00 H ATOM 35 C3 RAM 3 23.810 11.260 26.000 1.00 0.00 C ATOM 36 H3 RAM 3 24.730 11.780 26.260 1.00 0.00 H ATOM 37 O3 RAM 3 22.990 11.960 25.080 1.00 0.00 O ATOM 38 H3O RAM 3 22.220 11.390 24.970 1.00 0.00 H ATOM 39 C2 RAM 3 [cell cut: 4352 characters, first 2000 kept]