G89362MU
has sequence: WURCS=2.0/5,12,11/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_d4-h1_e4-f1_f2-g1_i2-j1_j4-k1_k2-l1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412413D 283294 0 0 1 0 0 0 0 0999 V2000 9.6800 7.3200 21.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 8.0300 22.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2900 8.6700 21.7800 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0600 7.9300 21.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8800 9.5700 22.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 10.2400 22.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8900 9.5400 21.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6300 11.1000 23.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9700 11.9600 23.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6600 11.4200 23.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6100 10.3100 24.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7000 10.0400 24.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6800 11.1600 21.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8700 11.8300 21.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1900 10.2500 19.9700 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9500 9.5200 19.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9300 11.0900 18.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 11.9200 19.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9200 9.5600 20.5000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2100 10.2500 20.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 8.6700 19.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0300 7.9800 19.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2600 8.7100 18.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 9.5400 19.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 7.5400 17.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0200 7.5900 17.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7300 7.6800 17.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2200 6.5600 18.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 11.8900 20.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9300 13.3100 21.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6900 13.4200 22.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1000 14.2100 20.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1600 15.6400 20.4600 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8300 15.8400 21.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2400 16.4700 19.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2800 17.5200 19.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 16.1400 19.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7100 16.3700 18.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9200 16.5600 17.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 16.0[cell cut: 19377 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-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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 ; 2136.965 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, [cell cut: 33340 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 2MA A 10 1.46 LINK O3 VMB A 4 C1 YMA A 5 1.46 LINK O4 YMA A 5 C1 0YB A 9 1.46 LINK O2 YMA A 5 C1 4YB A 6 1.46 LINK O4 4YB A 6 C1 2LB A 7 1.46 LINK O2 2LB A 7 C1 0fA A 8 1.46 LINK O2 2MA A 10 C1 4YB A 11 1.46 LINK O4 4YB A 11 C1 2LB A 12 1.46 LINK O2 2LB A 12 C1 0fA A 13 1.46 ATOM 1 HO1 ROH 1 9.680 7.320 21.730 1.00 0.00 H ATOM 2 O1 ROH 1 10.030 8.030 22.280 1.00 0.00 O ATOM 3 C1 NAG 2 11.290 8.670 21.780 1.00 0.00 C ATOM 4 H1 NAG 2 12.060 7.930 21.580 1.00 0.00 H ATOM 5 O5 NAG 2 11.880 9.570 22.760 1.00 0.00 O ATOM 6 C5 NAG 2 13.110 10.240 22.270 1.00 0.00 C ATOM 7 H5 NAG 2 13.890 9.540 21.960 1.00 0.00 H ATOM 8 C6 NAG 2 13.630 11.100 23.420 1.00 0.00 C ATOM 9 H62 NAG 2 12.970 11.960 23.510 1.00 0.00 H ATOM 10 H61 NAG 2 14.660 11.420 23.260 1.00 0.00 H ATOM 11 O6 NAG 2 13.610 10.310 24.650 1.00 0.00 O ATOM 12 H6O NAG 2 12.700 10.040 24.820 1.00 0.00 H ATOM 13 C4 NAG 2 12.680 11.160 21.130 1.00 0.00 C ATOM 14 H4 NAG 2 11.870 11.830 21.440 1.00 0.00 H ATOM 15 C3 NAG 2 12.190 10.250 19.970 1.00 0.00 C ATOM 16 H3 NAG 2 12.950 9.520 19.710 1.00 0.00 H ATOM 17 O3 NAG 2 11.930 11.090 18.790 1.00 0.00 O ATOM 18 H3O NAG 2 11.590 11.920 19.140 1.00 0.00 H ATOM 19 C2 NAG 2 10.920 9.560 20.500 1.00 0.00 C ATOM 20 H2 NAG 2 10.210 10.250 20.970 1.00 0.00 H ATOM 21 N2 NAG 2 10.400 8.670 19.480 1.00 0.00 N ATOM 22 H2N NAG 2 11.030 7.980 19.080 1.00 0.00 H ATOM 23 C2N NAG 2 9.260 8.710 18.890 1.00 0.00 C ATOM 24 O2N NAG 2 8.380 9.540 19.110 1.00 0.00 O ATOM 25 CME NAG 2 9.050 7.540 17.840 1.00 0.00 C ATOM 26 H3M NAG 2 8.020 7.590 17.480 1.00 0.00 H ATOM 27 H2M NAG 2 9.730 7.680 17.000 1.00 0.00 H ATOM 28 H1M NAG 2 9.220 6.560 18.290 1.00 0.00 H ATOM 29 O4 NAG 2 13.840 11.890 20.580 1.00 0.00 O ATOM 30 C1 NAG 3 13.930 13.310 21.000 1.00 0.00 C ATOM 31 H1 NAG 3 13.690 13.420 22.060 1.00 0.00 H ATOM 32 O5 NAG 3 13.100 14.210 20.220 1.00 0.00 O ATOM 33 C5 NAG 3 13.160 15.64[cell cut: 19978 characters, first 2000 kept]