G85046IS
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]/1-1-2-3-1-4-1-4-3-1-4/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_j3-k1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412363D 264274 0 0 1 0 0 0 0 0999 V2000 15.3100 19.3600 6.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8700 20.1400 6.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1200 19.8600 7.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8100 19.3400 6.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8400 19.0500 8.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0500 18.6300 9.0800 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8200 18.1800 8.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7300 17.6400 10.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0300 18.1200 10.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6200 17.3100 10.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1500 16.4900 9.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2400 16.4400 9.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6800 19.9100 9.6700 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9200 20.2600 10.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9900 20.9500 8.5700 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8900 20.6700 8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2800 22.2000 9.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0100 21.9800 9.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7900 21.1200 7.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0200 21.6200 8.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0300 22.0100 6.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2500 21.4800 5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0600 23.2900 6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6500 23.9200 7.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5600 24.0400 5.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4300 23.4400 4.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9500 24.9300 5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5800 24.4000 5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9000 19.5000 10.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 20.0300 11.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0900 20.0000 12.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3200 21.4000 11.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1400 22.0700 12.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2700 21.7900 13.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0200 23.6300 12.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8700 24.0200 12.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8600 24.0800 13.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8300 23.8500 11.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2100 23.2900 12.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3700 21.58[cell cut: 18071 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)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; 2006.824 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-glucopyrano[cell cut: 31307 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 10 1.46 LINK O3 VMB A 4 C1 YMA A 5 1.46 LINK O4 YMA A 5 C1 4YB 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 O4 4YB A 8 C1 0LB A 9 1.46 LINK O2 2MA A 10 C1 3YB A 11 1.46 LINK O3 3YB A 11 C1 0LB A 12 1.46 ATOM 1 HO1 ROH 1 15.310 19.360 6.540 1.00 0.00 H ATOM 2 O1 ROH 1 15.870 20.140 6.570 1.00 0.00 O ATOM 3 C1 NAG 2 17.120 19.860 7.190 1.00 0.00 C ATOM 4 H1 NAG 2 17.810 19.340 6.530 1.00 0.00 H ATOM 5 O5 NAG 2 16.840 19.050 8.380 1.00 0.00 O ATOM 6 C5 NAG 2 18.050 18.630 9.080 1.00 0.00 C ATOM 7 H5 NAG 2 18.820 18.180 8.450 1.00 0.00 H ATOM 8 C6 NAG 2 17.730 17.640 10.140 1.00 0.00 C ATOM 9 H62 NAG 2 17.030 18.120 10.820 1.00 0.00 H ATOM 10 H61 NAG 2 18.620 17.310 10.670 1.00 0.00 H ATOM 11 O6 NAG 2 17.150 16.490 9.590 1.00 0.00 O ATOM 12 H6O NAG 2 16.240 16.440 9.890 1.00 0.00 H ATOM 13 C4 NAG 2 18.680 19.910 9.670 1.00 0.00 C ATOM 14 H4 NAG 2 17.920 20.260 10.380 1.00 0.00 H ATOM 15 C3 NAG 2 18.990 20.950 8.570 1.00 0.00 C ATOM 16 H3 NAG 2 19.890 20.670 8.030 1.00 0.00 H ATOM 17 O3 NAG 2 19.280 22.200 9.250 1.00 0.00 O ATOM 18 H3O NAG 2 20.010 21.980 9.840 1.00 0.00 H ATOM 19 C2 NAG 2 17.790 21.120 7.690 1.00 0.00 C ATOM 20 H2 NAG 2 17.020 21.620 8.260 1.00 0.00 H ATOM 21 N2 NAG 2 18.030 22.010 6.550 1.00 0.00 N ATOM 22 H2N NAG 2 18.250 21.480 5.720 1.00 0.00 H ATOM 23 C2N NAG 2 18.060 23.290 6.620 1.00 0.00 C ATOM 24 O2N NAG 2 17.650 23.920 7.570 1.00 0.00 O ATOM 25 CME NAG 2 18.560 24.040 5.400 1.00 0.00 C ATOM 26 H3M NAG 2 18.430 23.440 4.500 1.00 0.00 H ATOM 27 H2M NAG 2 17.950 24.930 5.280 1.00 0.00 H ATOM 28 H1M NAG 2 19.580 24.400 5.580 1.00 0.00 H ATOM 29 O4 NAG 2 19.900 19.500 10.440 1.00 0.00 O ATOM 30 C1 NAG 3 20.050 20.030 11.740 1.00 0.00 C ATOM 31 H1 NAG 3 19.090 20.000 12.250 1.00 0.00 H ATOM 32 O5 NAG 3 20.320 21.400 11.640 1.00 0.00 O ATOM 33 C5 NAG 3 20.140 22.070 12.920 1.00 0.00 C ATOM 34 H5 NAG[cell cut: 18594 characters, first 2000 kept]