G13278OU
has sequence: WURCS=2.0/3,6,5/[a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-2-2/a4-b1_b4-c1_c4-d1_c6-f1_d4-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411253D 141146 0 0 1 0 0 0 0 0999 V2000 26.3700 25.7700 23.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8800 25.3500 22.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0300 23.9400 23.2100 C 0 0 2 0 0 0 0 0 0 0 0 0 26.0700 23.8800 24.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3400 23.3000 22.7200 C 0 0 2 0 0 0 0 0 0 0 0 0 27.3800 22.3700 23.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5800 24.0300 23.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 28.9500 24.7500 22.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9800 24.0800 24.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1700 25.0500 24.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8500 26.0900 24.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5700 24.8500 25.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 30.8200 24.8700 23.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5300 23.4100 25.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4600 22.9500 21.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7300 23.8500 20.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5400 22.0000 21.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3900 22.4400 21.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1600 22.2700 20.7000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1800 21.2400 21.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9100 22.9600 21.2000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7500 23.9400 20.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6800 22.0900 20.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7500 21.0300 21.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4700 22.1900 19.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4700 22.5400 21.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7900 22.7500 22.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9500 23.1200 22.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0600 22.2400 19.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0900 21.4800 18.4400 C 0 0 2 0 0 0 0 0 0 0 0 0 27.9700 21.5500 19.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 27.4200 22.0900 17.1000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.2800 21.6200 16.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7400 23.6100 17.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9600 24.2200 17.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9800 24.1900 17.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0300 25.7000 17.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0300 26.0000 17.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2900 26.1500 16.9700 H 0 0 0 0 0 0 0[cell cut: 9601 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-(1-4)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose" 910.823 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? 3 non-polymer syn alpha-D-mannopyranose 180.156 1 ? ? ? ? # 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 MAN 1 6 6 MAN MAN ? . # 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 MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "C6 H12 O6" 180.156 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 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # loop_ _struct_conn.id _struct_conn.conn_type[cell cut: 20052 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4YA A 2 1.43 LINK O4 4YA A 2 C1 4YA A 3 1.46 LINK O4 4YA A 3 C1 UMB A 4 1.46 LINK O6 UMB A 4 C1 0MB A 7 1.46 LINK O4 UMB A 4 C1 4MA A 5 1.46 LINK O4 4MA A 5 C1 0MB A 6 1.46 ATOM 1 HO1 ROH 1 26.370 25.770 23.540 1.00 0.00 H ATOM 2 O1 ROH 1 25.880 25.350 22.830 1.00 0.00 O ATOM 3 C1 NAG 2 26.030 23.940 23.210 1.00 0.00 C ATOM 4 H1 NAG 2 26.070 23.880 24.300 1.00 0.00 H ATOM 5 C2 NAG 2 27.340 23.300 22.720 1.00 0.00 C ATOM 6 H2 NAG 2 27.380 22.370 23.290 1.00 0.00 H ATOM 7 N2 NAG 2 28.580 24.030 23.210 1.00 0.00 N ATOM 8 H2N NAG 2 28.950 24.750 22.600 1.00 0.00 H ATOM 9 C2N NAG 2 28.980 24.080 24.460 1.00 0.00 C ATOM 10 CME NAG 2 30.170 25.050 24.650 1.00 0.00 C ATOM 11 H3M NAG 2 29.850 26.090 24.530 1.00 0.00 H ATOM 12 H2M NAG 2 30.570 24.850 25.640 1.00 0.00 H ATOM 13 H1M NAG 2 30.820 24.870 23.790 1.00 0.00 H ATOM 14 O2N NAG 2 28.530 23.410 25.350 1.00 0.00 O ATOM 15 C3 NAG 2 27.460 22.950 21.230 1.00 0.00 C ATOM 16 H3 NAG 2 27.730 23.850 20.680 1.00 0.00 H ATOM 17 O3 NAG 2 28.540 22.000 21.290 1.00 0.00 O ATOM 18 H3O NAG 2 29.390 22.440 21.420 1.00 0.00 H ATOM 19 C4 NAG 2 26.160 22.270 20.700 1.00 0.00 C ATOM 20 H4 NAG 2 26.180 21.240 21.050 1.00 0.00 H ATOM 21 C5 NAG 2 24.910 22.960 21.200 1.00 0.00 C ATOM 22 H5 NAG 2 24.750 23.940 20.750 1.00 0.00 H ATOM 23 C6 NAG 2 23.680 22.090 20.890 1.00 0.00 C ATOM 24 H62 NAG 2 23.750 21.030 21.140 1.00 0.00 H ATOM 25 H61 NAG 2 23.470 22.190 19.830 1.00 0.00 H ATOM 26 O6 NAG 2 22.470 22.540 21.580 1.00 0.00 O ATOM 27 H6O NAG 2 22.790 22.750 22.460 1.00 0.00 H ATOM 28 O5 NAG 2 24.950 23.120 22.630 1.00 0.00 O ATOM 29 O4 NAG 2 26.060 22.240 19.230 1.00 0.00 O ATOM 30 C1 NAG 3 27.090 21.480 18.440 1.00 0.00 C ATOM 31 H1 NAG 3 27.970 21.550 19.080 1.00 0.00 H ATOM 32 C2 NAG 3 27.420 22.090 17.100 1.00 0.00 C ATOM 33 H2 NAG 3 28.280 21.620 16.630 1.00 0.00 H ATOM 34 N2 NAG 3 27.740 23.610 17.270 1.00 0.00 N ATOM 35 H2N NAG 3 26.960 24.220 17.440 1.00 0.00 H ATOM 36 C2N NAG 3 28.980 24.190 17.290 1.00 0.00 C ATO[cell cut: 9662 characters, first 2000 kept]