G25523EE
has sequence: WURCS=2.0/3,15,14/[a2122h-1b_1-5][a212h-1a_1-5][a2112h-1b_1-5]/1-1-1-1-1-1-1-1-2-2-2-3-2-2-2/a4-b1_b4-c1_b6-o1_c4-d1_c6-n1_d4-e1_d6-m1_e4-f1_f4-g1_f6-k1_g4-h1_g6-j1_h6-i1_k2-l1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410373D 294308 0 0 1 0 0 0 0 0999 V2000 10.6700 10.0700 14.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2300 10.1600 15.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 11.1600 16.0400 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6800 10.9800 17.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4900 12.5300 15.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 13.5900 16.4500 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0700 13.4700 17.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5600 14.9400 16.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 14.8800 15.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2100 15.7700 16.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 15.0500 16.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 15.4300 15.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 13.6200 16.1100 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8700 13.7700 15.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1900 12.1700 16.4600 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1900 12.0500 17.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5300 12.0600 15.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1400 12.3900 16.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3700 11.1000 15.8100 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5800 11.1400 14.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 9.8900 16.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0700 9.2900 15.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1900 14.6200 16.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9700 15.6100 16.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3500 16.0100 15.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1100 14.9200 15.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0300 15.7100 14.6000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4300 16.1100 13.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0800 14.7600 14.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9100 15.1600 13.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6800 14.0900 13.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6100 13.9300 15.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 16.9300 15.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0500 16.4700 16.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3800 17.7300 16.2000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8100 18.3100 15.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9100 18.5600 17.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7900 18.7600 16.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4400 16.8000 17.0000 C 0 0 1 0 0 0 0 0 0[cell cut: 20206 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-xylopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]alpha-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]alpha-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]alpha-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose ; 2269.971 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, a[cell cut: 33902 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4GB A 2 1.43 LINK O4 4GB A 2 C1 UGB A 3 1.46 LINK O6 UGB A 3 C1 0XA A 16 1.46 LINK O4 UGB A 3 C1 UGB A 4 1.46 LINK O6 UGB A 4 C1 0XA A 15 1.46 LINK O4 UGB A 4 C1 UGB A 5 1.46 LINK O6 UGB A 5 C1 0XA A 14 1.46 LINK O4 UGB A 5 C1 4GB A 6 1.46 LINK O4 4GB A 6 C1 UGB A 7 1.46 LINK O6 UGB A 7 C1 2XA A 12 1.46 LINK O4 UGB A 7 C1 UGB A 8 1.46 LINK O6 UGB A 8 C1 0XA A 11 1.46 LINK O4 UGB A 8 C1 6GB A 9 1.46 LINK O6 6GB A 9 C1 0XA A 10 1.46 LINK O2 2XA A 12 C1 0LB A 13 1.46 ATOM 1 HO1 ROH 1 10.670 10.070 14.450 1.00 0.00 H ATOM 2 O1 ROH 1 10.230 10.160 15.290 1.00 0.00 O ATOM 3 C1 GLC 2 10.900 11.160 16.040 1.00 0.00 C ATOM 4 H1 GLC 2 10.680 10.980 17.090 1.00 0.00 H ATOM 5 O5 GLC 2 10.490 12.530 15.600 1.00 0.00 O ATOM 6 C5 GLC 2 11.180 13.590 16.450 1.00 0.00 C ATOM 7 H5 GLC 2 11.070 13.470 17.530 1.00 0.00 H ATOM 8 C6 GLC 2 10.560 14.940 16.090 1.00 0.00 C ATOM 9 H62 GLC 2 10.570 14.880 15.000 1.00 0.00 H ATOM 10 H61 GLC 2 11.210 15.770 16.370 1.00 0.00 H ATOM 11 O6 GLC 2 9.250 15.050 16.570 1.00 0.00 O ATOM 12 H6O GLC 2 8.680 15.430 15.900 1.00 0.00 H ATOM 13 C4 GLC 2 12.650 13.620 16.110 1.00 0.00 C ATOM 14 H4 GLC 2 12.870 13.770 15.050 1.00 0.00 H ATOM 15 C3 GLC 2 13.190 12.170 16.460 1.00 0.00 C ATOM 16 H3 GLC 2 13.190 12.050 17.550 1.00 0.00 H ATOM 17 O3 GLC 2 14.530 12.060 15.950 1.00 0.00 O ATOM 18 H3O GLC 2 15.140 12.390 16.610 1.00 0.00 H ATOM 19 C2 GLC 2 12.370 11.100 15.810 1.00 0.00 C ATOM 20 H2 GLC 2 12.580 11.140 14.740 1.00 0.00 H ATOM 21 O2 GLC 2 12.810 9.890 16.360 1.00 0.00 O ATOM 22 H2O GLC 2 13.070 9.290 15.650 1.00 0.00 H ATOM 23 O4 GLC 2 13.190 14.620 16.930 1.00 0.00 O ATOM 24 C1 GLC 3 13.970 15.610 16.120 1.00 0.00 C ATOM 25 H1 GLC 3 13.350 16.010 15.310 1.00 0.00 H ATOM 26 O5 GLC 3 15.110 14.920 15.510 1.00 0.00 O ATOM 27 C5 GLC 3 16.030 15.710 14.600 1.00 0.00 C ATOM 28 H5 GLC 3 15.430 16.110 13.790 1.00 0.00 H ATOM 29 C6 GLC 3 17.080 14.760 14.150 1.00 0.00 C ATOM 30 H62 GLC 3 17.910 15.160 13.570 1.00 0.00 H ATOM 31 H61 GLC 3 [cell cut: 20846 characters, first 2000 kept]