G22751JZ
has sequence: WURCS=2.0/2,3,2/[a1122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2/a4-b1_a6-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411093D 72 74 0 0 1 0 0 0 0 0999 V2000 14.8700 22.1500 15.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3500 21.4700 15.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1400 20.8000 14.2400 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8400 21.5600 13.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2700 20.2200 13.1100 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5500 20.9800 12.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0100 20.0500 11.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9300 19.6500 12.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5900 20.3800 10.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7000 20.5500 9.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2700 19.6300 9.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3900 21.3100 9.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2800 20.7700 8.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4300 20.6100 10.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 18.9700 13.5600 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9100 19.2200 14.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8700 18.3000 12.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4800 18.1400 11.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 17.9700 14.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4400 17.7300 13.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2400 18.6900 15.4000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5600 19.1300 16.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2700 17.8100 16.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8000 18.3100 16.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6400 17.0200 16.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 17.3100 15.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9900 19.8100 14.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 16.8700 14.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1100 15.4200 14.5700 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1400 15.3200 14.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0900 15.2500 13.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 13.8900 12.5800 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1200 13.4100 12.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1500 13.9200 10.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 14.4000 10.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0700 12.9200 10.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3100 14.6900 10.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4900 14.4000 9.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1500 12.9600 13.2300 C 0 0 2 0 0 0 0 0 0 0[cell cut: 4919 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)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-alpha-D-mannopyranose" 545.490 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 BM3 "D-saccharide, alpha linking" . 2-acetamido-2-deoxy-alpha-D-mannopyranose "N-acetyl-alpha-D-mannosamine; 2-acetamido-2-deoxy-alpha-D-mannose; 2-acetamido-2-deoxy-D-mannose; 2-acetamido-2-deoxy-mannose; 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-MANNOPYRANOSE" "C8 H15 N O6" 221.208 GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "C6 H12 O6" 180.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id[cell cut: 13658 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 UWA A 2 1.43 LINK O6 UWA A 2 C1 0LB A 4 1.46 LINK O4 UWA A 2 C1 0LB A 3 1.46 ATOM 1 HO1 ROH 1 14.870 22.150 15.610 1.00 0.00 H ATOM 2 O1 ROH 1 14.350 21.470 15.180 1.00 0.00 O ATOM 3 C1 BM3 2 15.140 20.800 14.240 1.00 0.00 C ATOM 4 H1 BM3 2 15.840 21.560 13.890 1.00 0.00 H ATOM 5 C2 BM3 2 14.270 20.220 13.110 1.00 0.00 C ATOM 6 H2 BM3 2 13.550 20.980 12.800 1.00 0.00 H ATOM 7 N2 BM3 2 15.010 20.050 11.880 1.00 0.00 N ATOM 8 H2N BM3 2 15.930 19.650 12.040 1.00 0.00 H ATOM 9 C2N BM3 2 14.590 20.380 10.620 1.00 0.00 C ATOM 10 CME BM3 2 15.700 20.550 9.520 1.00 0.00 C ATOM 11 H3M BM3 2 16.270 19.630 9.420 1.00 0.00 H ATOM 12 H2M BM3 2 16.390 21.310 9.870 1.00 0.00 H ATOM 13 H1M BM3 2 15.280 20.770 8.530 1.00 0.00 H ATOM 14 O2N BM3 2 13.430 20.610 10.390 1.00 0.00 O ATOM 15 C3 BM3 2 13.620 18.970 13.560 1.00 0.00 C ATOM 16 H3 BM3 2 12.910 19.220 14.360 1.00 0.00 H ATOM 17 O3 BM3 2 12.870 18.300 12.510 1.00 0.00 O ATOM 18 H3O BM3 2 13.480 18.140 11.790 1.00 0.00 H ATOM 19 C4 BM3 2 14.620 17.970 14.260 1.00 0.00 C ATOM 20 H4 BM3 2 15.440 17.730 13.590 1.00 0.00 H ATOM 21 C5 BM3 2 15.240 18.690 15.400 1.00 0.00 C ATOM 22 H5 BM3 2 14.560 19.130 16.130 1.00 0.00 H ATOM 23 C6 BM3 2 16.270 17.810 16.130 1.00 0.00 C ATOM 24 H62 BM3 2 16.800 18.310 16.940 1.00 0.00 H ATOM 25 H61 BM3 2 15.640 17.020 16.550 1.00 0.00 H ATOM 26 O6 BM3 2 17.340 17.310 15.200 1.00 0.00 O ATOM 27 O5 BM3 2 15.990 19.810 14.840 1.00 0.00 O ATOM 28 O4 BM3 2 13.710 16.870 14.770 1.00 0.00 O ATOM 29 C1 GAL 3 14.110 15.420 14.570 1.00 0.00 C ATOM 30 H1 GAL 3 15.140 15.320 14.910 1.00 0.00 H ATOM 31 O5 GAL 3 14.090 15.250 13.090 1.00 0.00 O ATOM 32 C5 GAL 3 14.180 13.890 12.580 1.00 0.00 C ATOM 33 H5 GAL 3 15.120 13.410 12.870 1.00 0.00 H ATOM 34 C6 GAL 3 14.150 13.920 10.990 1.00 0.00 C ATOM 35 H62 GAL 3 13.230 14.400 10.660 1.00 0.00 H ATOM 36 H61 GAL 3 14.070 12.920 10.580 1.00 0.00 H ATOM 37 O6 GAL 3 15.310 14.690 10.520 1.00 0.00 O ATOM 38 H6O GAL 3 15.490 14.400 9.630 1.00 0.00 H ATOM[cell cut: 4847 characters, first 2000 kept]