G32020NL
has sequence: WURCS=2.0/2,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2211m-1a_1-5]/1-2-2-2-2/a3-b1_b2-c1_c3-d1_d2-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412023D 110114 0 0 1 0 0 0 0 0999 V2000 5.6200 26.1500 18.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 25.6000 18.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 24.3400 19.4600 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2900 23.7900 18.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 24.5800 20.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 23.4400 21.6800 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5300 22.9300 21.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 23.8400 23.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 24.3500 23.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 22.9700 23.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 24.8000 23.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 25.4900 22.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 22.5400 21.7400 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3000 22.9400 22.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 21.2600 22.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 21.2100 23.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 22.2900 20.4300 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7300 21.5000 19.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 23.5300 19.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0900 24.1600 20.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 23.2200 18.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 22.7300 17.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 24.0600 17.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 24.8200 18.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 23.9400 15.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 23.5100 15.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 24.9600 15.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 23.4900 15.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 21.8700 20.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 20.7000 19.8900 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7700 21.0000 18.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 19.6000 20.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2600 18.9100 21.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1900 19.5800 22.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 17.8900 21.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 16.9300 21.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 17.7100 20.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 18.2200 22.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 18.3500 21.5200 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8500 17.5500 20.8000 H 0 0[cell cut: 7477 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-(1-3)-alpha-L-rhamnopyranose-(1-2)-alpha-L-rhamnopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose" 805.771 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 NAG "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE" "C8 H15 N O6" 221.208 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 _struc[cell cut: 16932 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 3YB A 2 1.43 LINK O3 3YB A 2 C1 2hA A 3 1.46 LINK O2 2hA A 3 C1 3hA A 4 1.46 LINK O3 3hA A 4 C1 2hA A 5 1.46 LINK O2 2hA A 5 C1 0hA A 6 1.46 ATOM 1 HO1 ROH 1 5.620 26.150 18.910 1.00 0.00 H ATOM 2 O1 ROH 1 6.400 25.600 18.750 1.00 0.00 O ATOM 3 C1 NAG 2 6.080 24.340 19.460 1.00 0.00 C ATOM 4 H1 NAG 2 5.290 23.790 18.950 1.00 0.00 H ATOM 5 O5 NAG 2 5.720 24.580 20.840 1.00 0.00 O ATOM 6 C5 NAG 2 5.360 23.440 21.680 1.00 0.00 C ATOM 7 H5 NAG 2 4.530 22.930 21.190 1.00 0.00 H ATOM 8 C6 NAG 2 4.740 23.840 23.080 1.00 0.00 C ATOM 9 H62 NAG 2 5.520 24.350 23.650 1.00 0.00 H ATOM 10 H61 NAG 2 4.350 22.970 23.610 1.00 0.00 H ATOM 11 O6 NAG 2 3.720 24.800 23.000 1.00 0.00 O ATOM 12 H6O NAG 2 4.110 25.490 22.470 1.00 0.00 H ATOM 13 C4 NAG 2 6.640 22.540 21.740 1.00 0.00 C ATOM 14 H4 NAG 2 7.300 22.940 22.510 1.00 0.00 H ATOM 15 O4 NAG 2 6.090 21.260 22.080 1.00 0.00 O ATOM 16 H4O NAG 2 6.200 21.210 23.030 1.00 0.00 H ATOM 17 C3 NAG 2 7.290 22.290 20.430 1.00 0.00 C ATOM 18 H3 NAG 2 6.730 21.500 19.920 1.00 0.00 H ATOM 19 C2 NAG 2 7.410 23.530 19.530 1.00 0.00 C ATOM 20 H2 NAG 2 8.090 24.160 20.110 1.00 0.00 H ATOM 21 N2 NAG 2 7.850 23.220 18.200 1.00 0.00 N ATOM 22 H2N NAG 2 7.140 22.730 17.670 1.00 0.00 H ATOM 23 C2N NAG 2 8.690 24.060 17.580 1.00 0.00 C ATOM 24 O2N NAG 2 9.430 24.820 18.230 1.00 0.00 O ATOM 25 CME NAG 2 8.730 23.940 15.990 1.00 0.00 C ATOM 26 H3M NAG 2 7.820 23.510 15.560 1.00 0.00 H ATOM 27 H2M NAG 2 8.750 24.960 15.610 1.00 0.00 H ATOM 28 H1M NAG 2 9.650 23.490 15.610 1.00 0.00 H ATOM 29 O3 NAG 2 8.600 21.870 20.680 1.00 0.00 O ATOM 30 C1 RAM 3 8.950 20.700 19.890 1.00 0.00 C ATOM 31 H1 RAM 3 8.770 21.000 18.860 1.00 0.00 H ATOM 32 O5 RAM 3 8.050 19.600 20.200 1.00 0.00 O ATOM 33 C5 RAM 3 8.260 18.910 21.530 1.00 0.00 C ATOM 34 H5 RAM 3 8.190 19.580 22.380 1.00 0.00 H ATOM 35 C6 RAM 3 7.180 17.890 21.700 1.00 0.00 C ATOM 36 H61 RAM 3 7.640 16.930 21.930 1.00 0.00 H ATOM 37 H62 RAM 3 6.660 17.710 20.760 1.00 0.00 H ATOM 38 H63 RAM 3 6.53[cell cut: 7438 characters, first 2000 kept]