G63411NB
has sequence: WURCS=2.0/4,6,5/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-4/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412233D 147152 0 0 1 0 0 0 0 0999 V2000 11.4000 23.6900 32.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8700 24.0300 31.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 23.0200 31.2300 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4700 22.6600 32.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 21.9200 30.5800 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0700 21.1900 30.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 21.4200 31.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 22.0500 31.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 20.4500 32.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5600 20.4400 33.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4200 19.5900 34.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5600 20.3900 33.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 21.4500 33.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7200 19.5500 32.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 22.4700 29.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1500 23.2900 29.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 21.3800 28.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8400 21.5900 27.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3800 23.0200 28.3700 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7200 22.2100 28.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6300 24.1500 29.0300 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2700 25.0000 29.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 24.5700 28.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7400 25.2500 27.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 25.0500 28.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 23.4700 27.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 23.9600 27.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 23.6600 30.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0300 23.4900 27.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5300 22.8400 25.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4500 22.7800 26.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 21.5700 25.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5900 20.6400 24.8700 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5300 20.4600 25.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 19.2900 25.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 19.3000 26.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 19.2700 24.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5400 18.1100 24.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1100 17.3500 24.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 [cell cut: 10017 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 "2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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" 1114.016 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 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-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE" "C8 H15 N O6" 221.208 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _s[cell cut: 20593 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4YA A 2 1.43 LINK O4 4YA 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 0MA A 7 1.46 LINK O3 VMB A 4 C1 2MA A 5 1.46 LINK O2 2MA A 5 C1 0YB A 6 1.46 ATOM 1 HO1 ROH 1 11.400 23.690 32.360 1.00 0.00 H ATOM 2 O1 ROH 1 10.870 24.030 31.640 1.00 0.00 O ATOM 3 C1 NAG 2 10.020 23.020 31.230 1.00 0.00 C ATOM 4 H1 NAG 2 9.470 22.660 32.100 1.00 0.00 H ATOM 5 C2 NAG 2 10.860 21.920 30.580 1.00 0.00 C ATOM 6 H2 NAG 2 10.070 21.190 30.450 1.00 0.00 H ATOM 7 N2 NAG 2 11.860 21.420 31.480 1.00 0.00 N ATOM 8 H2N NAG 2 12.640 22.050 31.580 1.00 0.00 H ATOM 9 C2N NAG 2 11.590 20.450 32.310 1.00 0.00 C ATOM 10 CME NAG 2 12.560 20.440 33.470 1.00 0.00 C ATOM 11 H3M NAG 2 12.420 19.590 34.130 1.00 0.00 H ATOM 12 H2M NAG 2 13.560 20.390 33.030 1.00 0.00 H ATOM 13 H1M NAG 2 12.630 21.450 33.880 1.00 0.00 H ATOM 14 O2N NAG 2 10.720 19.550 32.060 1.00 0.00 O ATOM 15 C3 NAG 2 11.450 22.470 29.230 1.00 0.00 C ATOM 16 H3 NAG 2 12.150 23.290 29.370 1.00 0.00 H ATOM 17 O3 NAG 2 12.100 21.380 28.500 1.00 0.00 O ATOM 18 H3O NAG 2 11.840 21.590 27.600 1.00 0.00 H ATOM 19 C4 NAG 2 10.380 23.020 28.370 1.00 0.00 C ATOM 20 H4 NAG 2 9.720 22.210 28.050 1.00 0.00 H ATOM 21 C5 NAG 2 9.630 24.150 29.030 1.00 0.00 C ATOM 22 H5 NAG 2 10.270 25.000 29.230 1.00 0.00 H ATOM 23 C6 NAG 2 8.450 24.570 28.170 1.00 0.00 C ATOM 24 H62 NAG 2 8.740 25.250 27.370 1.00 0.00 H ATOM 25 H61 NAG 2 7.850 25.050 28.940 1.00 0.00 H ATOM 26 O6 NAG 2 7.580 23.470 27.620 1.00 0.00 O ATOM 27 H6O NAG 2 6.820 23.960 27.310 1.00 0.00 H ATOM 28 O5 NAG 2 9.010 23.660 30.270 1.00 0.00 O ATOM 29 O4 NAG 2 11.030 23.490 27.050 1.00 0.00 O ATOM 30 C1 NAG 3 10.530 22.840 25.920 1.00 0.00 C ATOM 31 H1 NAG 3 9.450 22.780 26.050 1.00 0.00 H ATOM 32 O5 NAG 3 11.190 21.570 25.850 1.00 0.00 O ATOM 33 C5 NAG 3 10.590 20.640 24.870 1.00 0.00 C ATOM 34 H5 NAG 3 9.530 20.460 25.050 1.00 0.00 H ATOM 35 C6 NAG 3 11.320 19.290 25.130 1.00 0.00 C ATOM 36 H62 NAG 3 11.450 19.300 26.220 1.00 0.00 H ATOM 37 H61 NAG[cell cut: 10102 characters, first 2000 kept]