G51709UX
has sequence: WURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_a6-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411273D 78 80 0 0 1 0 0 0 0 0999 V2000 19.6700 21.9900 18.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7300 22.5500 18.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3300 21.8200 17.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3700 21.6000 17.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4200 22.6500 15.8400 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9900 22.1900 15.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 23.9700 16.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6800 24.5000 16.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0300 24.5200 15.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2600 25.9600 15.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8700 26.3100 14.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3100 26.5000 15.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8500 26.1400 16.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8900 23.8000 14.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0700 22.8400 15.1000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4300 23.4600 15.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3900 21.4800 14.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4200 21.6000 14.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2100 20.9400 16.3100 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6000 21.6700 16.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3900 19.6600 16.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2400 19.3100 17.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4000 19.8300 15.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1900 18.4800 15.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5400 20.6100 16.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2900 20.6700 14.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5300 21.1800 13.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3800 23.6000 13.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2300 24.4400 13.5100 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8400 24.9300 14.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1600 23.6500 12.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9200 24.3600 12.5100 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5100 24.7500 13.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8800 23.3400 12.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2000 22.7100 11.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 23.8400 11.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4500 22.5800 13.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6900 22.1200 12.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1500 25.5200 11.5700 C 0 0 2 0 0 0 0 [cell cut: 5319 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-(1-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-galactopyranose" 586.542 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 NGA "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-galactopyranose "N-acetyl-beta-D-galactosamine; 2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-D-GALACTOSAMINE" "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_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_c[cell cut: 14237 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 VVA A 2 1.43 LINK O6 VVA A 2 C1 0VB A 4 1.46 LINK O3 VVA A 2 C1 0LB A 3 1.46 ATOM 1 HO1 ROH 1 19.670 21.990 18.980 1.00 0.00 H ATOM 2 O1 ROH 1 19.730 22.550 18.200 1.00 0.00 O ATOM 3 C1 NGA 2 20.330 21.820 17.150 1.00 0.00 C ATOM 4 H1 NGA 2 21.370 21.600 17.420 1.00 0.00 H ATOM 5 C2 NGA 2 20.420 22.650 15.840 1.00 0.00 C ATOM 6 H2 NGA 2 20.990 22.190 15.040 1.00 0.00 H ATOM 7 N2 NGA 2 21.050 23.970 16.130 1.00 0.00 N ATOM 8 H2N NGA 2 20.680 24.500 16.900 1.00 0.00 H ATOM 9 C2N NGA 2 22.030 24.520 15.390 1.00 0.00 C ATOM 10 CME NGA 2 22.260 25.960 15.510 1.00 0.00 C ATOM 11 H3M NGA 2 22.870 26.310 14.680 1.00 0.00 H ATOM 12 H2M NGA 2 21.310 26.500 15.550 1.00 0.00 H ATOM 13 H1M NGA 2 22.850 26.140 16.410 1.00 0.00 H ATOM 14 O2N NGA 2 22.890 23.800 14.770 1.00 0.00 O ATOM 15 C3 NGA 2 19.070 22.840 15.100 1.00 0.00 C ATOM 16 H3 NGA 2 18.430 23.460 15.730 1.00 0.00 H ATOM 17 C4 NGA 2 18.390 21.480 14.880 1.00 0.00 C ATOM 18 H4 NGA 2 17.420 21.600 14.400 1.00 0.00 H ATOM 19 C5 NGA 2 18.210 20.940 16.310 1.00 0.00 C ATOM 20 H5 NGA 2 17.600 21.670 16.840 1.00 0.00 H ATOM 21 C6 NGA 2 17.390 19.660 16.390 1.00 0.00 C ATOM 22 H62 NGA 2 17.240 19.310 17.410 1.00 0.00 H ATOM 23 H61 NGA 2 16.400 19.830 15.970 1.00 0.00 H ATOM 24 O6 NGA 2 18.190 18.480 15.780 1.00 0.00 O ATOM 25 O5 NGA 2 19.540 20.610 16.940 1.00 0.00 O ATOM 26 O4 NGA 2 19.290 20.670 14.080 1.00 0.00 O ATOM 27 H4O NGA 2 19.530 21.180 13.300 1.00 0.00 H ATOM 28 O3 NGA 2 19.380 23.600 13.870 1.00 0.00 O ATOM 29 C1 GAL 3 18.230 24.440 13.510 1.00 0.00 C ATOM 30 H1 GAL 3 17.840 24.930 14.400 1.00 0.00 H ATOM 31 O5 GAL 3 17.160 23.650 12.800 1.00 0.00 O ATOM 32 C5 GAL 3 15.920 24.360 12.510 1.00 0.00 C ATOM 33 H5 GAL 3 15.510 24.750 13.440 1.00 0.00 H ATOM 34 C6 GAL 3 14.880 23.340 12.120 1.00 0.00 C ATOM 35 H62 GAL 3 15.200 22.710 11.290 1.00 0.00 H ATOM 36 H61 GAL 3 14.000 23.840 11.720 1.00 0.00 H ATOM 37 O6 GAL 3 14.450 22.580 13.250 1.00 0.00 O ATOM 38 H6O GAL 3 13.690 22.120 12.890 1.00 0.00 H[cell cut: 5253 characters, first 2000 kept]