G29972ZX
has sequence: WURCS=2.0/4,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-1-3-1-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_d6-f1_g2-h1_h4-i1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412393D 222230 0 0 1 0 0 0 0 0999 V2000 12.7300 5.8900 26.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8900 5.3600 26.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0100 5.9600 25.3500 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3300 5.2900 24.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1600 6.0100 26.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3900 6.2200 25.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3400 5.5100 24.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6200 5.7500 26.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5100 6.2100 25.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6200 4.6600 26.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7100 6.2400 27.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9100 5.9000 27.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3400 7.6600 24.9500 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3500 8.2600 25.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0500 7.9700 24.2300 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1200 7.5200 23.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8700 9.4100 24.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2500 9.7000 23.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7800 7.4000 24.8400 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5900 8.0500 25.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6900 7.4500 23.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7300 6.8300 23.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 8.4400 23.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7600 9.3100 24.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 8.2200 22.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 7.2000 22.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7800 8.5000 23.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0100 8.8600 21.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5500 7.9600 24.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9400 9.3700 24.0800 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6700 9.8800 25.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1900 9.9300 22.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5100 11.3400 22.7300 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4300 11.9200 23.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5500 11.8900 21.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6100 11.5400 20.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7400 12.9600 21.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1800 11.7700 22.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 10.8700 21.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9700 11.3700 22.250[cell cut: 15122 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)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; 1682.542 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-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-[cell cut: 27539 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 8 1.46 LINK O3 VMB A 4 C1 XMA A 5 1.46 LINK O6 XMA A 5 C1 0YB A 7 1.46 LINK O2 XMA A 5 C1 0YB A 6 1.46 LINK O2 2MA A 8 C1 4YB A 9 1.46 LINK O4 4YB A 9 C1 0LB A 10 1.46 ATOM 1 HO1 ROH 1 12.730 5.890 26.810 1.00 0.00 H ATOM 2 O1 ROH 1 12.890 5.360 26.030 1.00 0.00 O ATOM 3 C1 NAG 2 14.010 5.960 25.350 1.00 0.00 C ATOM 4 H1 NAG 2 14.330 5.290 24.550 1.00 0.00 H ATOM 5 O5 NAG 2 15.160 6.010 26.240 1.00 0.00 O ATOM 6 C5 NAG 2 16.390 6.220 25.480 1.00 0.00 C ATOM 7 H5 NAG 2 16.340 5.510 24.640 1.00 0.00 H ATOM 8 C6 NAG 2 17.620 5.750 26.120 1.00 0.00 C ATOM 9 H62 NAG 2 18.510 6.210 25.700 1.00 0.00 H ATOM 10 H61 NAG 2 17.620 4.660 26.130 1.00 0.00 H ATOM 11 O6 NAG 2 17.710 6.240 27.480 1.00 0.00 O ATOM 12 H6O NAG 2 16.910 5.900 27.890 1.00 0.00 H ATOM 13 C4 NAG 2 16.340 7.660 24.950 1.00 0.00 C ATOM 14 H4 NAG 2 16.350 8.260 25.860 1.00 0.00 H ATOM 15 C3 NAG 2 15.050 7.970 24.230 1.00 0.00 C ATOM 16 H3 NAG 2 15.120 7.520 23.240 1.00 0.00 H ATOM 17 O3 NAG 2 14.870 9.410 24.140 1.00 0.00 O ATOM 18 H3O NAG 2 15.250 9.700 23.310 1.00 0.00 H ATOM 19 C2 NAG 2 13.780 7.400 24.840 1.00 0.00 C ATOM 20 H2 NAG 2 13.590 8.050 25.690 1.00 0.00 H ATOM 21 N2 NAG 2 12.690 7.450 23.850 1.00 0.00 N ATOM 22 H2N NAG 2 12.730 6.830 23.060 1.00 0.00 H ATOM 23 C2N NAG 2 11.800 8.440 23.850 1.00 0.00 C ATOM 24 O2N NAG 2 11.760 9.310 24.700 1.00 0.00 O ATOM 25 CME NAG 2 10.770 8.220 22.760 1.00 0.00 C ATOM 26 H3M NAG 2 10.670 7.200 22.390 1.00 0.00 H ATOM 27 H2M NAG 2 9.780 8.500 23.110 1.00 0.00 H ATOM 28 H1M NAG 2 11.010 8.860 21.910 1.00 0.00 H ATOM 29 O4 NAG 2 17.550 7.960 24.210 1.00 0.00 O ATOM 30 C1 NAG 3 17.940 9.370 24.080 1.00 0.00 C ATOM 31 H1 NAG 3 17.670 9.880 25.000 1.00 0.00 H ATOM 32 O5 NAG 3 17.190 9.930 22.940 1.00 0.00 O ATOM 33 C5 NAG 3 17.510 11.340 22.730 1.00 0.00 C ATOM 34 H5 NAG 3 17.430 11.920 23.650 1.00 0.00 H ATOM 35 C6 NAG 3 16.550 11.890 21.810 1.0[cell cut: 15469 characters, first 2000 kept]