G93290PO
has sequence: WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-2-3/a4-b1_b4-c1_c3-d1_c6-e1_e4-f1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412383D 141146 0 0 1 0 0 0 0 0999 V2000 10.7200 17.2900 13.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 16.4800 13.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0100 15.8800 13.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8300 14.9400 14.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9400 16.7000 14.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3400 16.1800 14.4200 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4000 15.3200 15.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 17.3000 15.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3400 18.1000 14.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2200 16.9300 15.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5600 17.7000 16.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6800 18.6500 16.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8900 15.8500 12.9900 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0900 16.8000 12.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9500 14.9500 12.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8500 13.9900 12.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4600 14.7100 10.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4100 14.8300 10.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5400 15.4900 12.0800 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6100 16.3800 11.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 14.4100 11.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5700 13.5500 11.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0700 14.5400 10.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 15.5900 9.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 13.3900 9.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 12.4100 9.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 13.3000 10.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7800 13.5500 8.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2100 15.1100 13.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4300 15.5900 12.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4200 16.6800 12.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4500 14.9800 11.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5400 15.5500 10.5800 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5300 16.6200 10.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3000 15.1000 9.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1900 14.0200 8.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1200 15.4000 8.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1300 15.7200 8.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2300 16.6600 8.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 [cell cut: 9592 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-mannopyranose-(1-4)-alpha-D-mannopyranose-(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" 1072.964 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 _struct_conn.pdbx_PDB[cell cut: 20017 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 4MB A 6 1.46 LINK O3 VMB A 4 C1 0MA A 5 1.46 LINK O4 4MB A 6 C1 0MA A 7 1.46 ATOM 1 HO1 ROH 1 10.720 17.290 13.870 1.00 0.00 H ATOM 2 O1 ROH 1 10.700 16.480 13.360 1.00 0.00 O ATOM 3 C1 NAG 2 12.010 15.880 13.480 1.00 0.00 C ATOM 4 H1 NAG 2 11.830 14.940 14.000 1.00 0.00 H ATOM 5 O5 NAG 2 12.940 16.700 14.270 1.00 0.00 O ATOM 6 C5 NAG 2 14.340 16.180 14.420 1.00 0.00 C ATOM 7 H5 NAG 2 14.400 15.320 15.090 1.00 0.00 H ATOM 8 C6 NAG 2 15.210 17.300 15.020 1.00 0.00 C ATOM 9 H62 NAG 2 15.340 18.100 14.300 1.00 0.00 H ATOM 10 H61 NAG 2 16.220 16.930 15.210 1.00 0.00 H ATOM 11 O6 NAG 2 14.560 17.700 16.230 1.00 0.00 O ATOM 12 H6O NAG 2 14.680 18.650 16.320 1.00 0.00 H ATOM 13 C4 NAG 2 14.890 15.850 12.990 1.00 0.00 C ATOM 14 H4 NAG 2 15.090 16.800 12.490 1.00 0.00 H ATOM 15 C3 NAG 2 13.950 14.950 12.150 1.00 0.00 C ATOM 16 H3 NAG 2 13.850 13.990 12.660 1.00 0.00 H ATOM 17 O3 NAG 2 14.460 14.710 10.870 1.00 0.00 O ATOM 18 H3O NAG 2 15.410 14.830 10.920 1.00 0.00 H ATOM 19 C2 NAG 2 12.540 15.490 12.080 1.00 0.00 C ATOM 20 H2 NAG 2 12.610 16.380 11.460 1.00 0.00 H ATOM 21 N2 NAG 2 11.740 14.410 11.400 1.00 0.00 N ATOM 22 H2N NAG 2 11.570 13.550 11.900 1.00 0.00 H ATOM 23 C2N NAG 2 11.070 14.540 10.250 1.00 0.00 C ATOM 24 O2N NAG 2 11.150 15.590 9.590 1.00 0.00 O ATOM 25 CME NAG 2 10.150 13.390 9.810 1.00 0.00 C ATOM 26 H3M NAG 2 10.620 12.410 9.720 1.00 0.00 H ATOM 27 H2M NAG 2 9.400 13.300 10.590 1.00 0.00 H ATOM 28 H1M NAG 2 9.780 13.550 8.790 1.00 0.00 H ATOM 29 O4 NAG 2 16.210 15.110 13.290 1.00 0.00 O ATOM 30 C1 NAG 3 17.430 15.590 12.740 1.00 0.00 C ATOM 31 H1 NAG 3 17.420 16.680 12.660 1.00 0.00 H ATOM 32 O5 NAG 3 17.450 14.980 11.370 1.00 0.00 O ATOM 33 C5 NAG 3 18.540 15.550 10.580 1.00 0.00 C ATOM 34 H5 NAG 3 18.530 16.620 10.740 1.00 0.00 H ATOM 35 C6 NAG 3 18.300 15.100 9.110 1.00 0.00 C ATOM 36 H62 NAG 3 18.190 14.020 8.990 1.00 0.00 H ATOM 37 H61 [cell cut: 9653 characters, first 2000 kept]