G39210IV
has sequence: WURCS=2.0/3,4,3/[a2112h-1a_1-5][a2122h-1b_1-5][a212h-1b_1-5]/1-2-2-3/a4-b1_b2-c1_b3-d1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411573D 83 86 0 0 1 0 0 0 0 0999 V2000 17.2100 24.8600 6.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6200 25.7300 6.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4900 26.5400 6.9900 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3800 27.3200 6.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9300 27.4000 8.2300 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3800 28.3300 8.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3700 27.7400 8.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8100 26.9100 8.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6700 26.7000 9.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3500 25.8500 9.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9800 27.5700 10.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6600 28.1900 10.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2500 26.2000 9.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1000 25.8000 10.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0900 25.0700 8.6600 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8700 24.3100 8.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6800 24.4400 8.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 24.1300 9.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 25.1300 8.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7300 23.2600 7.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2200 22.5900 8.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3000 25.6900 7.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2700 27.2800 9.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 27.9300 10.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3000 28.2800 11.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 27.0400 11.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9900 27.6900 12.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7100 28.1400 12.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0200 26.7100 12.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2200 26.3700 12.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 27.2200 13.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 25.6800 13.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5200 24.8500 13.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2400 28.8900 11.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3400 28.5200 11.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 29.5600 12.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1800 30.3300 12.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 29.8900 10.7800 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8300 30.3300 11.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 31[cell cut: 5635 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-glucopyranose-(1-2)-[alpha-D-xylopyranose-(1-3)]alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose" 636.552 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 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? XYS "D-saccharide, alpha linking" . alpha-D-xylopyranose "alpha-D-xylose; D-xylose; xylose; XYLOPYRANOSE" "C5 H10 O5" 150.130 # 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 _struct_conn.ptnr1_label_s[cell cut: 15094 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4LA A 2 1.43 LINK O4 4LA A 2 C1 ZGB A 3 1.46 LINK O3 ZGB A 3 C1 0XB A 5 1.46 LINK O2 ZGB A 3 C1 0GB A 4 1.46 ATOM 1 HO1 ROH 1 17.210 24.860 6.700 1.00 0.00 H ATOM 2 O1 ROH 1 17.620 25.730 6.690 1.00 0.00 O ATOM 3 C1 GAL 2 16.490 26.540 6.990 1.00 0.00 C ATOM 4 H1 GAL 2 16.380 27.320 6.240 1.00 0.00 H ATOM 5 C2 GAL 2 16.930 27.400 8.230 1.00 0.00 C ATOM 6 H2 GAL 2 16.380 28.330 8.090 1.00 0.00 H ATOM 7 O2 GAL 2 18.370 27.740 8.200 1.00 0.00 O ATOM 8 H2O GAL 2 18.810 26.910 8.010 1.00 0.00 H ATOM 9 C3 GAL 2 16.670 26.700 9.550 1.00 0.00 C ATOM 10 H3 GAL 2 17.350 25.850 9.580 1.00 0.00 H ATOM 11 O3 GAL 2 16.980 27.570 10.670 1.00 0.00 O ATOM 12 H3O GAL 2 17.660 28.190 10.390 1.00 0.00 H ATOM 13 C4 GAL 2 15.250 26.200 9.700 1.00 0.00 C ATOM 14 H4 GAL 2 15.100 25.800 10.710 1.00 0.00 H ATOM 15 C5 GAL 2 15.090 25.070 8.660 1.00 0.00 C ATOM 16 H5 GAL 2 15.870 24.310 8.640 1.00 0.00 H ATOM 17 C6 GAL 2 13.680 24.440 8.570 1.00 0.00 C ATOM 18 H62 GAL 2 13.440 24.130 9.580 1.00 0.00 H ATOM 19 H61 GAL 2 12.910 25.130 8.230 1.00 0.00 H ATOM 20 O6 GAL 2 13.730 23.260 7.710 1.00 0.00 O ATOM 21 H6O GAL 2 14.220 22.590 8.180 1.00 0.00 H ATOM 22 O5 GAL 2 15.300 25.690 7.250 1.00 0.00 O ATOM 23 O4 GAL 2 14.270 27.280 9.320 1.00 0.00 O ATOM 24 C1 GLC 3 13.550 27.930 10.340 1.00 0.00 C ATOM 25 H1 GLC 3 14.300 28.280 11.060 1.00 0.00 H ATOM 26 O5 GLC 3 12.660 27.040 11.030 1.00 0.00 O ATOM 27 C5 GLC 3 11.990 27.690 12.150 1.00 0.00 C ATOM 28 H5 GLC 3 12.710 28.140 12.830 1.00 0.00 H ATOM 29 C6 GLC 3 11.020 26.710 12.910 1.00 0.00 C ATOM 30 H62 GLC 3 10.220 26.370 12.250 1.00 0.00 H ATOM 31 H61 GLC 3 10.470 27.220 13.700 1.00 0.00 H ATOM 32 O6 GLC 3 11.800 25.680 13.510 1.00 0.00 O ATOM 33 H6O GLC 3 11.520 24.850 13.110 1.00 0.00 H ATOM 34 C4 GLC 3 11.240 28.890 11.540 1.00 0.00 C ATOM 35 H4 GLC 3 10.340 28.520 11.040 1.00 0.00 H ATOM 36 O4 GLC 3 10.670 29.560 12.710 1.00 0.00 O ATOM 37 H4O GLC 3 10.180 30.330 12.420 1.00 0.00 H ATOM 38 C3 GLC 3 12.110 29.890 10.780 1.0[cell cut: 5556 characters, first 2000 kept]