G23573AG
has sequence: WURCS=2.0/4,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1a_1-5][a1122h-1a_1-5]/1-1-2-3-3-4/a4-b1_b4-c1_c3-d1_c6-e1_e3-f1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411343D 133138 0 0 1 0 0 0 0 0999 V2000 8.5600 11.5200 17.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2200 11.3900 16.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3200 12.0700 17.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6400 11.4700 18.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 13.3500 17.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7400 14.3500 18.4000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3000 13.9400 19.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 15.6300 18.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4400 16.3700 19.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 15.1900 19.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 16.1800 17.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 15.6200 16.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8200 14.5900 17.3000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4300 14.9800 16.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 13.2400 17.0600 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8600 12.8400 18.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 13.4700 16.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3000 13.9700 16.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 12.2400 16.4600 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0200 12.5800 15.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0200 10.9400 16.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4900 10.5300 16.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7200 10.7300 15.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3300 11.2500 14.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0900 9.9600 15.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 10.7700 14.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2000 9.3900 15.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0800 9.2800 14.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 15.5300 17.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7200 16.9700 17.5600 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7000 17.3200 17.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 17.1800 16.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7000 18.5700 15.7700 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6600 18.7500 16.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8300 18.6600 14.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8900 18.7900 14.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2200 19.5200 13.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 17.4700 13.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7000 16.6600 13.9000 H 0 0 0 0 0 0 0 0 0 0 0 0[cell cut: 9103 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-(1-3)-alpha-D-xylopyranose-(1-6)-[alpha-D-xylopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose" 1012.912 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 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" ? ? ? XYS "D-saccharide, alpha linking" . alpha-D-xylopyranose "alpha-D-xylose; D-xylose; xylose; XYLOPYRANOSE" "C5[cell cut: 19736 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 VMB A 4 1.46 LINK O6 VMB A 4 C1 3XA A 6 1.46 LINK O3 VMB A 4 C1 0XA A 5 1.46 LINK O3 3XA A 6 C1 0MA A 7 1.46 ATOM 1 HO1 ROH 1 8.560 11.520 17.540 1.00 0.00 H ATOM 2 O1 ROH 1 9.220 11.390 16.850 1.00 0.00 O ATOM 3 C1 NAG 2 10.320 12.070 17.480 1.00 0.00 C ATOM 4 H1 NAG 2 10.640 11.470 18.330 1.00 0.00 H ATOM 5 O5 NAG 2 9.770 13.350 17.940 1.00 0.00 O ATOM 6 C5 NAG 2 10.740 14.350 18.400 1.00 0.00 C ATOM 7 H5 NAG 2 11.300 13.940 19.240 1.00 0.00 H ATOM 8 C6 NAG 2 9.860 15.630 18.800 1.00 0.00 C ATOM 9 H62 NAG 2 10.440 16.370 19.350 1.00 0.00 H ATOM 10 H61 NAG 2 9.040 15.190 19.380 1.00 0.00 H ATOM 11 O6 NAG 2 9.240 16.180 17.650 1.00 0.00 O ATOM 12 H6O NAG 2 9.310 15.620 16.870 1.00 0.00 H ATOM 13 C4 NAG 2 11.820 14.590 17.300 1.00 0.00 C ATOM 14 H4 NAG 2 11.430 14.980 16.360 1.00 0.00 H ATOM 15 C3 NAG 2 12.480 13.240 17.060 1.00 0.00 C ATOM 16 H3 NAG 2 12.860 12.840 18.000 1.00 0.00 H ATOM 17 O3 NAG 2 13.580 13.470 16.110 1.00 0.00 O ATOM 18 H3O NAG 2 14.300 13.970 16.520 1.00 0.00 H ATOM 19 C2 NAG 2 11.390 12.240 16.460 1.00 0.00 C ATOM 20 H2 NAG 2 11.020 12.580 15.490 1.00 0.00 H ATOM 21 N2 NAG 2 12.020 10.940 16.180 1.00 0.00 N ATOM 22 H2N NAG 2 12.490 10.530 16.990 1.00 0.00 H ATOM 23 C2N NAG 2 12.720 10.730 15.060 1.00 0.00 C ATOM 24 O2N NAG 2 12.330 11.250 14.020 1.00 0.00 O ATOM 25 CME NAG 2 14.090 9.960 15.070 1.00 0.00 C ATOM 26 H3M NAG 2 14.810 10.770 14.960 1.00 0.00 H ATOM 27 H2M NAG 2 14.200 9.390 15.990 1.00 0.00 H ATOM 28 H1M NAG 2 14.080 9.280 14.220 1.00 0.00 H ATOM 29 O4 NAG 2 12.800 15.530 17.880 1.00 0.00 O ATOM 30 C1 NAG 3 12.720 16.970 17.560 1.00 0.00 C ATOM 31 H1 NAG 3 11.700 17.320 17.730 1.00 0.00 H ATOM 32 O5 NAG 3 13.000 17.180 16.180 1.00 0.00 O ATOM 33 C5 NAG 3 12.700 18.570 15.770 1.00 0.00 C ATOM 34 H5 NAG 3 11.660 18.750 16.020 1.00 0.00 H ATOM 35 C6 NAG 3 12.830 18.660 14.220 1.00 0.00 C ATOM 36 H62 NAG 3 13.890 18.790 14.010 1.00 0.00 H ATOM 37 H61 NA[cell cut: 9138 characters, first 2000 kept]