G41200QS
has sequence: WURCS=2.0/6,8,7/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-4-1-5-6/a4-b1_a6-h1_b4-c1_c2-d1_c3-e1_e2-f1_f4-g1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412433D 184191 0 0 1 0 0 0 0 0999 V2000 9.5000 15.4000 22.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5100 15.2800 21.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9400 15.6300 21.5200 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5900 15.4000 22.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 17.0900 21.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4200 17.6100 20.9600 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1700 17.2300 21.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4600 19.0900 20.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4800 19.4000 20.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1900 19.4000 21.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4800 19.6100 19.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8200 17.0100 19.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2000 17.4000 18.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 15.4200 19.8000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5000 15.1300 20.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0500 14.8900 18.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9500 15.1000 18.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3800 14.8900 20.2200 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7300 15.2100 19.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3100 13.4500 20.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7100 13.0700 21.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 12.8900 19.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 13.0900 18.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 12.1400 20.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 11.0800 20.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 12.4000 21.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 12.3100 20.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2400 17.3900 19.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4700 17.9100 17.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7100 18.6400 17.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3100 16.8100 16.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6500 17.2100 15.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8100 17.7900 15.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 15.9700 14.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2400 15.1800 15.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 16.2600 13.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2900 15.4500 14.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3900 14.5100 14.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8900 18.1400 15.3600 C 0 0 2 0 0 0 0 0 0 0 [cell cut: 12521 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 ;beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-xylopyranose-(1-2)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; 1392.271 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 FUC "L-saccharide, alpha linking" . alpha-L-fucopyranose "alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose" "C6 H12 O5" 164.156 GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "C6 H12 O6" 180.156 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[cell cut: 24840 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 UYB A 2 1.43 LINK O6 UYB A 2 C1 0fA A 9 1.46 LINK O4 UYB A 2 C1 4YB A 3 1.46 LINK O4 4YB A 3 C1 ZMB A 4 1.46 LINK O3 ZMB A 4 C1 2MA A 6 1.46 LINK O2 ZMB A 4 C1 0XB A 5 1.46 LINK O2 2MA A 6 C1 4YB A 7 1.46 LINK O4 4YB A 7 C1 0LB A 8 1.46 ATOM 1 HO1 ROH 1 9.500 15.400 22.770 1.00 0.00 H ATOM 2 O1 ROH 1 9.510 15.280 21.820 1.00 0.00 O ATOM 3 C1 NAG 2 10.940 15.630 21.520 1.00 0.00 C ATOM 4 H1 NAG 2 11.590 15.400 22.360 1.00 0.00 H ATOM 5 O5 NAG 2 11.080 17.090 21.390 1.00 0.00 O ATOM 6 C5 NAG 2 12.420 17.610 20.960 1.00 0.00 C ATOM 7 H5 NAG 2 13.170 17.230 21.650 1.00 0.00 H ATOM 8 C6 NAG 2 12.460 19.090 20.890 1.00 0.00 C ATOM 9 H62 NAG 2 13.480 19.400 20.670 1.00 0.00 H ATOM 10 H61 NAG 2 12.190 19.400 21.900 1.00 0.00 H ATOM 11 O6 NAG 2 11.480 19.610 19.880 1.00 0.00 O ATOM 12 C4 NAG 2 12.820 17.010 19.590 1.00 0.00 C ATOM 13 H4 NAG 2 12.200 17.400 18.780 1.00 0.00 H ATOM 14 C3 NAG 2 12.750 15.420 19.800 1.00 0.00 C ATOM 15 H3 NAG 2 13.500 15.130 20.530 1.00 0.00 H ATOM 16 O3 NAG 2 13.050 14.890 18.460 1.00 0.00 O ATOM 17 H3O NAG 2 13.950 15.100 18.210 1.00 0.00 H ATOM 18 C2 NAG 2 11.380 14.890 20.220 1.00 0.00 C ATOM 19 H2 NAG 2 10.730 15.210 19.400 1.00 0.00 H ATOM 20 N2 NAG 2 11.310 13.450 20.420 1.00 0.00 N ATOM 21 H2N NAG 2 11.710 13.070 21.270 1.00 0.00 H ATOM 22 C2N NAG 2 10.210 12.890 19.860 1.00 0.00 C ATOM 23 O2N NAG 2 9.810 13.090 18.700 1.00 0.00 O ATOM 24 CME NAG 2 9.350 12.140 20.910 1.00 0.00 C ATOM 25 H3M NAG 2 9.500 11.080 20.770 1.00 0.00 H ATOM 26 H2M NAG 2 9.690 12.400 21.920 1.00 0.00 H ATOM 27 H1M NAG 2 8.270 12.310 20.860 1.00 0.00 H ATOM 28 O4 NAG 2 14.240 17.390 19.200 1.00 0.00 O ATOM 29 C1 NAG 3 14.470 17.910 17.880 1.00 0.00 C ATOM 30 H1 NAG 3 13.710 18.640 17.600 1.00 0.00 H ATOM 31 O5 NAG 3 14.310 16.810 16.920 1.00 0.00 O ATOM 32 C5 NAG 3 14.650 17.210 15.480 1.00 0.00 C ATOM 33 H5 NAG 3 13.810 17.790 15.090 1.00 0.00 H ATOM 34 C6 NAG 3 14.620 15.970 14.600 1.00 0.00 C ATOM 35 H62 NAG 3 15.240 15.180 15.020 1.00 0.00 [cell cut: 12718 characters, first 2000 kept]