G98415RH
has sequence: WURCS=2.0/5,13,12/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-1-4-1-3-1-1-4-5/a4-b1_a6-m1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_d4-f1_f4-g1_i2-j1_i6-k1_k4-l1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412463D 317329 0 0 1 0 0 0 0 0999 V2000 5.2500 7.4100 18.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 8.3500 18.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 9.0500 18.4600 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3700 8.8400 17.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 8.5700 19.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 9.1700 19.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0600 8.8600 18.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 8.5800 20.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6600 8.8200 19.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 7.5000 20.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4900 9.1200 21.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 10.7100 18.9900 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5200 11.0400 20.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 11.2600 18.2200 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6100 11.0100 17.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 12.6900 18.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 13.1000 18.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 10.6100 18.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7300 10.9100 19.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 11.0200 17.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 10.4100 16.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 11.5500 18.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 12.2200 19.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 11.2400 17.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 10.1700 17.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 11.6800 17.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 11.6600 16.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9200 11.1400 18.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 12.4100 19.1700 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9100 12.3700 20.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 13.5400 18.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0700 14.8600 19.0500 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5200 14.8300 19.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 15.9000 18.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 15.9800 17.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 16.9100 18.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0800 15.7300 18.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 15.9000 18.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6100 14.9600 19.2400 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1300 14.9700 18.2800 H 0 0 0 0 [cell cut: 21591 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-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)]alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)]alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]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 ; 2397.209 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-gala[cell cut: 36376 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 UYB A 2 1.43 LINK O6 UYB A 2 C1 0fA A 14 1.46 LINK O4 UYB A 2 C1 4YB A 3 1.46 LINK O4 4YB A 3 C1 QMB A 4 1.46 LINK O6 QMB A 4 C1 XMA A 10 1.46 LINK O4 QMB A 4 C1 0YB A 9 1.46 LINK O3 QMB A 4 C1 YMA A 5 1.46 LINK O4 YMA A 5 C1 4YB A 7 1.46 LINK O2 YMA A 5 C1 0YB A 6 1.46 LINK O4 4YB A 7 C1 0LB A 8 1.46 LINK O6 XMA A 10 C1 4YB A 12 1.46 LINK O2 XMA A 10 C1 0YB A 11 1.46 LINK O4 4YB A 12 C1 0LB A 13 1.46 ATOM 1 HO1 ROH 1 5.250 7.410 18.740 1.00 0.00 H ATOM 2 O1 ROH 1 5.070 8.350 18.860 1.00 0.00 O ATOM 3 C1 NAG 2 6.220 9.050 18.460 1.00 0.00 C ATOM 4 H1 NAG 2 6.370 8.840 17.400 1.00 0.00 H ATOM 5 O5 NAG 2 7.350 8.570 19.230 1.00 0.00 O ATOM 6 C5 NAG 2 8.660 9.170 19.000 1.00 0.00 C ATOM 7 H5 NAG 2 9.060 8.860 18.030 1.00 0.00 H ATOM 8 C6 NAG 2 9.650 8.580 20.010 1.00 0.00 C ATOM 9 H62 NAG 2 10.660 8.820 19.670 1.00 0.00 H ATOM 10 H61 NAG 2 9.470 7.500 20.050 1.00 0.00 H ATOM 11 O6 NAG 2 9.490 9.120 21.360 1.00 0.00 O ATOM 12 C4 NAG 2 8.610 10.710 18.990 1.00 0.00 C ATOM 13 H4 NAG 2 8.520 11.040 20.020 1.00 0.00 H ATOM 14 C3 NAG 2 7.430 11.260 18.220 1.00 0.00 C ATOM 15 H3 NAG 2 7.610 11.010 17.180 1.00 0.00 H ATOM 16 O3 NAG 2 7.290 12.690 18.440 1.00 0.00 O ATOM 17 H3O NAG 2 8.060 13.100 18.040 1.00 0.00 H ATOM 18 C2 NAG 2 6.070 10.610 18.540 1.00 0.00 C ATOM 19 H2 NAG 2 5.730 10.910 19.530 1.00 0.00 H ATOM 20 N2 NAG 2 5.040 11.020 17.630 1.00 0.00 N ATOM 21 H2N NAG 2 4.980 10.410 16.830 1.00 0.00 H ATOM 22 C2N NAG 2 3.920 11.550 18.080 1.00 0.00 C ATOM 23 O2N NAG 2 3.880 12.220 19.100 1.00 0.00 O ATOM 24 CME NAG 2 2.670 11.240 17.250 1.00 0.00 C ATOM 25 H3M NAG 2 2.530 10.170 17.120 1.00 0.00 H ATOM 26 H2M NAG 2 1.820 11.680 17.770 1.00 0.00 H ATOM 27 H1M NAG 2 2.890 11.660 16.270 1.00 0.00 H ATOM 28 O4 NAG 2 9.920 11.140 18.560 1.00 0.00 O ATOM 29 C1 NAG 3 10.300 12.410 19.170 1.00 0.00 C ATOM 30 H1 NAG 3 9.910 12.370 20.190 1.00 0.00 H ATOM 31 O5 NAG 3 9.750 13.540 18.440 1.00 0.00 O ATOM 32 C5 NAG 3 10.070 14.860 19.050 1.00 0.00 C ATOM 33 H5 NAG[cell cut: 22335 characters, first 2000 kept]