G28637OT
has sequence: WURCS=2.0/1,4,3/[a2122h-1b_1-5]/1-1-1-1/a6-b1_b6-c1_c6-d1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411363D 87 90 0 0 1 0 0 0 0 0999 V2000 19.6300 14.0500 5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5100 14.2800 6.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3900 14.6900 7.4600 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7700 14.0300 8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7700 16.0400 7.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8100 16.8400 8.7400 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3100 16.2700 9.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2900 16.9800 9.1200 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9000 17.4900 8.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3900 17.7600 10.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2800 17.6300 10.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8000 15.5900 9.4500 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2200 15.1500 10.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2200 15.4500 9.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3000 16.1100 10.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7200 14.7100 8.1600 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5100 15.0900 7.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0300 13.2900 8.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1400 13.2200 9.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1700 18.2500 8.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7300 18.7600 7.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1800 18.7500 9.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7700 18.1200 8.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9900 19.3900 7.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6700 20.1900 7.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4800 19.7500 9.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8200 21.1400 9.2400 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5300 21.9300 8.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 21.1900 8.1300 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9200 20.5400 8.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2700 22.5000 7.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3700 22.5100 7.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1300 20.6300 6.8200 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8400 21.3200 6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9100 20.4700 5.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4900 21.3400 5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8400 19.2700 6.8600 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2000 18.4600 7.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3100 18.9400 5.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9700 19.6100 4.8800 H [cell cut: 5920 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-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose" 666.578 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 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "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 _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id [cell cut: 14762 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 6GB A 2 1.43 LINK O6 6GB A 2 C1 6GB A 3 1.46 LINK O6 6GB A 3 C1 6GB A 4 1.46 LINK O6 6GB A 4 C1 0GB A 5 1.46 ATOM 1 HO1 ROH 1 19.630 14.050 5.780 1.00 0.00 H ATOM 2 O1 ROH 1 20.510 14.280 6.080 1.00 0.00 O ATOM 3 C1 GLC 2 20.390 14.690 7.460 1.00 0.00 C ATOM 4 H1 GLC 2 19.770 14.030 8.070 1.00 0.00 H ATOM 5 O5 GLC 2 19.770 16.040 7.470 1.00 0.00 O ATOM 6 C5 GLC 2 19.810 16.840 8.740 1.00 0.00 C ATOM 7 H5 GLC 2 19.310 16.270 9.520 1.00 0.00 H ATOM 8 C4 GLC 2 21.290 16.980 9.120 1.00 0.00 C ATOM 9 H4 GLC 2 21.900 17.490 8.380 1.00 0.00 H ATOM 10 O4 GLC 2 21.390 17.760 10.310 1.00 0.00 O ATOM 11 H4O GLC 2 22.280 17.630 10.650 1.00 0.00 H ATOM 12 C3 GLC 2 21.800 15.590 9.450 1.00 0.00 C ATOM 13 H3 GLC 2 21.220 15.150 10.260 1.00 0.00 H ATOM 14 O3 GLC 2 23.220 15.450 9.850 1.00 0.00 O ATOM 15 H3O GLC 2 23.300 16.110 10.540 1.00 0.00 H ATOM 16 C2 GLC 2 21.720 14.710 8.160 1.00 0.00 C ATOM 17 H2 GLC 2 22.510 15.090 7.510 1.00 0.00 H ATOM 18 O2 GLC 2 22.030 13.290 8.440 1.00 0.00 O ATOM 19 H2O GLC 2 22.140 13.220 9.390 1.00 0.00 H ATOM 20 C6 GLC 2 19.170 18.250 8.530 1.00 0.00 C ATOM 21 H62 GLC 2 19.730 18.760 7.750 1.00 0.00 H ATOM 22 H61 GLC 2 19.180 18.750 9.500 1.00 0.00 H ATOM 23 O6 GLC 2 17.770 18.120 8.070 1.00 0.00 O ATOM 24 C1 GLC 3 16.990 19.390 7.920 1.00 0.00 C ATOM 25 H1 GLC 3 17.670 20.190 7.630 1.00 0.00 H ATOM 26 O5 GLC 3 16.480 19.750 9.250 1.00 0.00 O ATOM 27 C5 GLC 3 15.820 21.140 9.240 1.00 0.00 C ATOM 28 H5 GLC 3 16.530 21.930 8.980 1.00 0.00 H ATOM 29 C4 GLC 3 14.720 21.190 8.130 1.00 0.00 C ATOM 30 H4 GLC 3 13.920 20.540 8.490 1.00 0.00 H ATOM 31 O4 GLC 3 14.270 22.500 7.900 1.00 0.00 O ATOM 32 H4O GLC 3 13.370 22.510 7.580 1.00 0.00 H ATOM 33 C3 GLC 3 15.130 20.630 6.820 1.00 0.00 C ATOM 34 H3 GLC 3 15.840 21.320 6.370 1.00 0.00 H ATOM 35 O3 GLC 3 13.910 20.470 5.960 1.00 0.00 O ATOM 36 H3O GLC 3 13.490 21.340 5.890 1.00 0.00 H ATOM 37 C2 GLC 3 15.840 19.270 6.860 1.00 0.00 C ATOM 38 H2 GLC 3 15.200 18.460 7.200 1.00 0.00 H ATOM 39[cell cut: 5842 characters, first 2000 kept]