G43111IG
has sequence: WURCS=2.0/2,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5]/1-1-2-2-2-2-2-2-2-2/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_g6-i1_i2-j1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410513D 225234 0 0 1 0 0 0 0 0999 V2000 17.4600 6.0000 27.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9100 6.4300 26.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7700 6.9500 25.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1900 6.0500 25.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8700 7.7200 26.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8500 8.2300 25.2800 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3000 7.3800 24.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0000 8.6700 26.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6100 9.3400 26.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7500 9.1900 25.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6500 7.5600 26.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2900 7.3900 27.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1000 9.1200 24.2800 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6000 10.0100 24.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9900 8.2700 23.6200 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4100 7.3400 23.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3800 8.9800 22.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0100 8.3300 21.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9800 7.7500 24.6200 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4700 8.6000 25.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0400 6.8600 23.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4300 5.9500 23.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7700 6.8700 24.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 7.9200 24.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 5.4600 24.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6400 4.7400 23.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3100 5.1200 25.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 5.3600 24.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0800 9.4700 23.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3600 10.8900 23.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6900 11.2900 24.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1400 11.6300 22.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4800 13.0900 22.8400 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0500 13.3400 23.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0600 13.7900 22.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3300 14.8500 22.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4500 13.5100 23.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4300 13.7200 21.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 13.9500 21.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4000 13.4400 2[cell cut: 15406 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 "2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose" 424.401 1 ? ? ? ? 2 branched man "alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose" 1315.142 1 ? ? ? ? 3 non-polymer syn ? ? 1 ? ? ? ? # _pdbx_nonpoly_scheme.asym_id C _pdbx_nonpoly_scheme.entity_id 3 _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 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 no[cell cut: 26976 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4YB A 2 1.43 LINK O4 4YB A 2 C1 4YB A 3 1.46 LINK O4 4YB A 3 C1 VMA A 4 1.46 LINK O6 VMA A 4 C1 VMA A 8 1.46 LINK O3 VMA A 4 C1 2MA A 5 1.46 LINK O2 2MA A 5 C1 2MA A 6 1.46 LINK O2 2MA A 6 C1 0MA A 7 1.46 LINK O6 VMA A 8 C1 2MA A 10 1.46 LINK O3 VMA A 8 C1 0MA A 9 1.46 LINK O2 2MA A 10 C1 0MA A 11 1.46 ATOM 1 HO1 ROH 1 17.460 6.000 27.460 1.00 0.00 H ATOM 2 O1 ROH 1 16.910 6.430 26.800 1.00 0.00 O ATOM 3 C1 NAG 2 17.770 6.950 25.740 1.00 0.00 C ATOM 4 H1 NAG 2 18.190 6.050 25.300 1.00 0.00 H ATOM 5 O5 NAG 2 18.870 7.720 26.290 1.00 0.00 O ATOM 6 C5 NAG 2 19.850 8.230 25.280 1.00 0.00 C ATOM 7 H5 NAG 2 20.300 7.380 24.750 1.00 0.00 H ATOM 8 C6 NAG 2 21.000 8.670 26.160 1.00 0.00 C ATOM 9 H62 NAG 2 20.610 9.340 26.930 1.00 0.00 H ATOM 10 H61 NAG 2 21.750 9.190 25.570 1.00 0.00 H ATOM 11 O6 NAG 2 21.650 7.560 26.790 1.00 0.00 O ATOM 12 H6O NAG 2 21.290 7.390 27.660 1.00 0.00 H ATOM 13 C4 NAG 2 19.100 9.120 24.280 1.00 0.00 C ATOM 14 H4 NAG 2 18.600 10.010 24.660 1.00 0.00 H ATOM 15 C3 NAG 2 17.990 8.270 23.620 1.00 0.00 C ATOM 16 H3 NAG 2 18.410 7.340 23.210 1.00 0.00 H ATOM 17 O3 NAG 2 17.380 8.980 22.500 1.00 0.00 O ATOM 18 H3O NAG 2 17.010 8.330 21.900 1.00 0.00 H ATOM 19 C2 NAG 2 16.980 7.750 24.620 1.00 0.00 C ATOM 20 H2 NAG 2 16.470 8.600 25.070 1.00 0.00 H ATOM 21 N2 NAG 2 16.040 6.860 23.950 1.00 0.00 N ATOM 22 H2N NAG 2 16.430 5.950 23.760 1.00 0.00 H ATOM 23 C2N NAG 2 14.770 6.870 24.240 1.00 0.00 C ATOM 24 O2N NAG 2 14.170 7.920 24.370 1.00 0.00 O ATOM 25 CME NAG 2 14.170 5.460 24.510 1.00 0.00 C ATOM 26 H3M NAG 2 14.640 4.740 23.830 1.00 0.00 H ATOM 27 H2M NAG 2 14.310 5.120 25.540 1.00 0.00 H ATOM 28 H1M NAG 2 13.120 5.360 24.240 1.00 0.00 H ATOM 29 O4 NAG 2 20.080 9.470 23.250 1.00 0.00 O ATOM 30 C1 NAG 3 20.360 10.890 23.120 1.00 0.00 C ATOM 31 H1 NAG 3 20.690 11.290 24.080 1.00 0.00 H ATOM 32 O5 NAG 3 19.140 11.630 22.840 1.00 0.00 O ATOM 33 C5 NAG 3 19.480 13.090 22.840 1.00 0.00 C ATOM 34 H5 NAG 3 20.050 13.340 23.730 1.00 0.00 H AT[cell cut: 15766 characters, first 2000 kept]