G38291RB
has sequence: WURCS=2.0/6,13,12/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-3-1-4-5-1-4-6/a4-b1_a6-m1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_g6-k1_h4-i1_i3-j1_k4-l1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412133D 305317 0 0 1 0 0 0 0 0999 V2000 8.0000 21.4500 29.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 21.0600 29.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8700 20.2400 28.7200 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8600 19.4300 29.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0400 21.0900 28.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 20.4600 28.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6400 19.7800 29.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4700 21.4900 28.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4600 21.0800 28.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4600 21.7000 29.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 22.6400 27.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 19.7300 27.1400 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3300 20.4600 26.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1100 18.9100 26.9700 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2100 18.1500 27.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2800 18.2500 25.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4400 17.9500 25.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 19.5600 27.2700 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6400 20.3400 26.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7300 18.5800 27.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 17.9900 28.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 18.8600 26.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 19.2500 25.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 18.5400 27.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 19.4500 27.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 17.8400 27.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 18.1700 28.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5800 18.9800 27.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6600 19.5200 26.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7800 20.5800 26.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3000 19.3400 24.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3000 19.9300 23.7500 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3800 21.0000 23.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8000 19.8000 22.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4900 18.7900 22.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6100 20.0200 21.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7300 20.7600 22.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3900 20.6800 21.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6600 19.1800 23.9400 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5[cell cut: 20929 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-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]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 ; 2315.105 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[cell cut: 35352 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 VMB A 4 1.46 LINK O6 VMB A 4 C1 XMA A 8 1.46 LINK O3 VMB A 4 C1 2MA A 5 1.46 LINK O2 2MA A 5 C1 4YB A 6 1.46 LINK O4 4YB A 6 C1 0LB A 7 1.46 LINK O6 XMA A 8 C1 4YB A 12 1.46 LINK O2 XMA A 8 C1 4YB A 9 1.46 LINK O4 4YB A 9 C1 3LB A 10 1.46 LINK O3 3LB A 10 C1 0LA A 11 1.46 LINK O4 4YB A 12 C1 0LB A 13 1.46 ATOM 1 HO1 ROH 1 8.000 21.450 29.840 1.00 0.00 H ATOM 2 O1 ROH 1 7.740 21.060 29.010 1.00 0.00 O ATOM 3 C1 NAG 2 8.870 20.240 28.720 1.00 0.00 C ATOM 4 H1 NAG 2 8.860 19.430 29.450 1.00 0.00 H ATOM 5 O5 NAG 2 10.040 21.090 28.710 1.00 0.00 O ATOM 6 C5 NAG 2 11.350 20.460 28.500 1.00 0.00 C ATOM 7 H5 NAG 2 11.640 19.780 29.300 1.00 0.00 H ATOM 8 C6 NAG 2 12.470 21.490 28.680 1.00 0.00 C ATOM 9 H62 NAG 2 13.460 21.080 28.490 1.00 0.00 H ATOM 10 H61 NAG 2 12.460 21.700 29.750 1.00 0.00 H ATOM 11 O6 NAG 2 12.170 22.640 27.860 1.00 0.00 O ATOM 12 C4 NAG 2 11.350 19.730 27.140 1.00 0.00 C ATOM 13 H4 NAG 2 11.330 20.460 26.330 1.00 0.00 H ATOM 14 C3 NAG 2 10.110 18.910 26.970 1.00 0.00 C ATOM 15 H3 NAG 2 10.210 18.150 27.750 1.00 0.00 H ATOM 16 O3 NAG 2 10.280 18.250 25.700 1.00 0.00 O ATOM 17 H3O NAG 2 9.440 17.950 25.350 1.00 0.00 H ATOM 18 C2 NAG 2 8.780 19.560 27.270 1.00 0.00 C ATOM 19 H2 NAG 2 8.640 20.340 26.520 1.00 0.00 H ATOM 20 N2 NAG 2 7.730 18.580 27.210 1.00 0.00 N ATOM 21 H2N NAG 2 7.740 17.990 28.030 1.00 0.00 H ATOM 22 C2N NAG 2 6.540 18.860 26.720 1.00 0.00 C ATOM 23 O2N NAG 2 6.420 19.250 25.550 1.00 0.00 O ATOM 24 CME NAG 2 5.390 18.540 27.650 1.00 0.00 C ATOM 25 H3M NAG 2 4.900 19.450 27.990 1.00 0.00 H ATOM 26 H2M NAG 2 4.710 17.840 27.160 1.00 0.00 H ATOM 27 H1M NAG 2 5.690 18.170 28.630 1.00 0.00 H ATOM 28 O4 NAG 2 12.580 18.980 27.000 1.00 0.00 O ATOM 29 C1 NAG 3 13.660 19.520 26.070 1.00 0.00 C ATOM 30 H1 NAG 3 13.780 20.580 26.250 1.00 0.00 H ATOM 31 O5 NAG 3 13.300 19.340 24.680 1.00 0.00 O ATOM 32 C5 NAG 3 14.300 19.930 23.750 1.[cell cut: 21620 characters, first 2000 kept]