G43433FA
has sequence: WURCS=2.0/4,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-1-1-3-1-4/a4-b1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_d4-g1_e4-f1_i2-j1_j4-k1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412583D 270280 0 0 1 0 0 0 0 0999 V2000 16.3600 8.9300 27.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0400 9.7300 27.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0200 10.8000 27.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3600 10.8700 28.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2900 12.0300 26.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1700 13.2300 27.0400 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6200 13.2400 28.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3200 14.5700 26.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9200 15.4700 27.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4500 14.6200 27.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7600 14.4500 25.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3100 15.2600 25.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3800 13.1700 26.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0900 13.2500 25.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0600 11.7700 26.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6600 11.6100 27.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0600 11.7200 25.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3600 12.5900 24.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1100 10.6100 26.1700 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6800 10.4400 25.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 9.4000 26.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0200 9.2300 27.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0300 8.4300 25.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7500 8.5300 24.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6200 7.1100 26.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2100 6.7000 25.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1800 7.3100 27.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7100 6.5200 26.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3200 14.2800 26.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5800 15.2600 25.4400 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6100 15.6500 25.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2100 14.6200 24.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5500 15.5200 23.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6400 15.9800 22.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2100 14.8000 21.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2300 14.4700 22.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9300 15.4300 21.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2800 13.6500 21.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3600 13.8900 21.8700 H 0 0 0 0 0 0 0 0 0 0 0 0[cell cut: 18500 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)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose ; 2047.876 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 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: 31933 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 QMB A 4 1.46 LINK O6 QMB A 4 C1 2MA 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 0YB A 8 1.46 LINK O2 YMA A 5 C1 4YB A 6 1.46 LINK O4 4YB A 6 C1 0LB A 7 1.46 LINK O2 2MA A 10 C1 4YB A 11 1.46 LINK O4 4YB A 11 C1 0LB A 12 1.46 ATOM 1 HO1 ROH 1 16.360 8.930 27.460 1.00 0.00 H ATOM 2 O1 ROH 1 16.040 9.730 27.030 1.00 0.00 O ATOM 3 C1 NAG 2 17.020 10.800 27.150 1.00 0.00 C ATOM 4 H1 NAG 2 17.360 10.870 28.180 1.00 0.00 H ATOM 5 O5 NAG 2 16.290 12.030 26.910 1.00 0.00 O ATOM 6 C5 NAG 2 17.170 13.230 27.040 1.00 0.00 C ATOM 7 H5 NAG 2 17.620 13.240 28.030 1.00 0.00 H ATOM 8 C6 NAG 2 16.320 14.570 26.930 1.00 0.00 C ATOM 9 H62 NAG 2 16.920 15.470 27.010 1.00 0.00 H ATOM 10 H61 NAG 2 15.450 14.620 27.590 1.00 0.00 H ATOM 11 O6 NAG 2 15.760 14.450 25.590 1.00 0.00 O ATOM 12 H6O NAG 2 15.310 15.260 25.330 1.00 0.00 H ATOM 13 C4 NAG 2 18.380 13.170 26.130 1.00 0.00 C ATOM 14 H4 NAG 2 18.090 13.250 25.080 1.00 0.00 H ATOM 15 C3 NAG 2 19.060 11.770 26.190 1.00 0.00 C ATOM 16 H3 NAG 2 19.660 11.610 27.090 1.00 0.00 H ATOM 17 O3 NAG 2 20.060 11.720 25.110 1.00 0.00 O ATOM 18 H3O NAG 2 20.360 12.590 24.850 1.00 0.00 H ATOM 19 C2 NAG 2 18.110 10.610 26.170 1.00 0.00 C ATOM 20 H2 NAG 2 17.680 10.440 25.180 1.00 0.00 H ATOM 21 N2 NAG 2 18.850 9.400 26.520 1.00 0.00 N ATOM 22 H2N NAG 2 19.020 9.230 27.500 1.00 0.00 H ATOM 23 C2N NAG 2 19.030 8.430 25.690 1.00 0.00 C ATOM 24 O2N NAG 2 18.750 8.530 24.500 1.00 0.00 O ATOM 25 CME NAG 2 19.620 7.110 26.140 1.00 0.00 C ATOM 26 H3M NAG 2 20.210 6.700 25.320 1.00 0.00 H ATOM 27 H2M NAG 2 20.180 7.310 27.060 1.00 0.00 H ATOM 28 H1M NAG 2 18.710 6.520 26.290 1.00 0.00 H ATOM 29 O4 NAG 2 19.320 14.280 26.520 1.00 0.00 O ATOM 30 C1 NAG 3 19.580 15.260 25.440 1.00 0.00 C ATOM 31 H1 NAG 3 18.610 15.650 25.130 1.00 0.00 H ATOM 32 O5 NAG 3 20.210 14.620 24.270 1.00 0.00 O ATOM 33 C5 NAG 3 20.550 15.520 23.190 1.00 0.00 C [cell cut: 19047 characters, first 2000 kept]