G16928FA
has sequence: WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2211m-1a_1-5][a2122h-1a_1-5]/1-2-2-2-3/a3-b1_b3-c1_c2-d1_d3-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410543D 111115 0 0 1 0 0 0 0 0999 V2000 14.7000 23.8400 24.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3200 24.5700 24.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5500 24.2400 24.6700 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3200 23.8800 25.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3000 25.5000 24.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6300 25.4500 25.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6000 24.9600 26.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1100 26.8900 25.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0800 27.5900 24.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0600 26.7800 26.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2800 27.4800 26.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5700 28.4000 26.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4300 24.6500 24.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4300 25.1900 23.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8200 24.5400 24.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1300 23.7200 24.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8100 23.2200 24.1600 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0500 22.6900 25.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3300 23.2500 23.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2300 23.6200 22.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7400 21.9700 23.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5800 21.6500 24.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5200 21.1300 22.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6500 21.4500 21.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2100 19.6500 23.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4500 19.1400 22.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1300 19.0900 23.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8600 19.6100 24.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4600 22.5400 22.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4100 21.4400 23.3600 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1200 21.0800 24.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8000 22.0700 23.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4800 22.5800 22.2700 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8500 23.3700 21.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7400 23.1800 22.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1600 23.8200 22.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4800 22.4300 23.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5600 23.7700 23.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4900 21.5000 21.2000 C 0 0 2 0 0 0 0[cell cut: 7588 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-D-glucopyranose-(1-3)-alpha-L-rhamnopyranose-(1-2)-alpha-L-rhamnopyranose-(1-3)-alpha-L-rhamnopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose" 821.771 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 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156 NAG "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE" "C8 H15 N O6" 221.208 RAM "L-saccharide, alpha linking" . alpha-L-rhamnopyranose "alpha-L-rhamnose; 6-deoxy-alpha-L-mannopyranose; L-rhamnose; rhamnose" "C6 H12 O5" 164.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # [cell cut: 17370 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 3YB A 2 1.43 LINK O3 3YB A 2 C1 3hA A 3 1.46 LINK O3 3hA A 3 C1 2hA A 4 1.46 LINK O2 2hA A 4 C1 3hA A 5 1.46 LINK O3 3hA A 5 C1 0GA A 6 1.46 ATOM 1 HO1 ROH 1 14.700 23.840 24.200 1.00 0.00 H ATOM 2 O1 ROH 1 15.320 24.570 24.060 1.00 0.00 O ATOM 3 C1 NAG 2 16.550 24.240 24.670 1.00 0.00 C ATOM 4 H1 NAG 2 16.320 23.880 25.670 1.00 0.00 H ATOM 5 O5 NAG 2 17.300 25.500 24.760 1.00 0.00 O ATOM 6 C5 NAG 2 18.630 25.450 25.340 1.00 0.00 C ATOM 7 H5 NAG 2 18.600 24.960 26.310 1.00 0.00 H ATOM 8 C6 NAG 2 19.110 26.890 25.580 1.00 0.00 C ATOM 9 H62 NAG 2 19.080 27.590 24.750 1.00 0.00 H ATOM 10 H61 NAG 2 20.060 26.780 26.100 1.00 0.00 H ATOM 11 O6 NAG 2 18.280 27.480 26.630 1.00 0.00 O ATOM 12 H6O NAG 2 18.570 28.400 26.670 1.00 0.00 H ATOM 13 C4 NAG 2 19.430 24.650 24.260 1.00 0.00 C ATOM 14 H4 NAG 2 19.430 25.190 23.310 1.00 0.00 H ATOM 15 O4 NAG 2 20.820 24.540 24.640 1.00 0.00 O ATOM 16 H4O NAG 2 21.130 23.720 24.260 1.00 0.00 H ATOM 17 C3 NAG 2 18.810 23.220 24.160 1.00 0.00 C ATOM 18 H3 NAG 2 19.050 22.690 25.090 1.00 0.00 H ATOM 19 C2 NAG 2 17.330 23.250 23.760 1.00 0.00 C ATOM 20 H2 NAG 2 17.230 23.620 22.740 1.00 0.00 H ATOM 21 N2 NAG 2 16.740 21.970 23.960 1.00 0.00 N ATOM 22 H2N NAG 2 16.580 21.650 24.900 1.00 0.00 H ATOM 23 C2N NAG 2 16.520 21.130 22.980 1.00 0.00 C ATOM 24 O2N NAG 2 16.650 21.450 21.760 1.00 0.00 O ATOM 25 CME NAG 2 16.210 19.650 23.390 1.00 0.00 C ATOM 26 H3M NAG 2 15.450 19.140 22.800 1.00 0.00 H ATOM 27 H2M NAG 2 17.130 19.090 23.290 1.00 0.00 H ATOM 28 H1M NAG 2 15.860 19.610 24.420 1.00 0.00 H ATOM 29 O3 NAG 2 19.460 22.540 22.980 1.00 0.00 O ATOM 30 C1 RAM 3 20.410 21.440 23.360 1.00 0.00 C ATOM 31 H1 RAM 3 20.120 21.080 24.340 1.00 0.00 H ATOM 32 O5 RAM 3 21.800 22.070 23.460 1.00 0.00 O ATOM 33 C5 RAM 3 22.480 22.580 22.270 1.00 0.00 C ATOM 34 H5 RAM 3 21.850 23.370 21.860 1.00 0.00 H ATOM 35 C6 RAM 3 23.740 23.180 22.830 1.00 0.00 C ATOM 36 H61 RAM 3 24.160 23.820 22.050 1.00 0.00 H ATOM 37 H62 RAM 3 24.480 22.430 23.1[cell cut: 7552 characters, first 2000 kept]