G15977PF
has sequence: WURCS=2.0/3,6,5/[a2122h-1a_1-5][a2122h-1b_1-5][a212h-1b_1-5]/1-2-2-2-2-3/a6-b1_b6-c1_c6-d1_d6-e1_e6-f1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410233D 125130 0 0 1 0 0 0 0 0999 V2000 12.9600 16.6400 9.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0300 16.8700 10.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8900 17.4900 11.4000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1400 16.7600 11.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1100 18.5400 10.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2200 18.8700 11.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7200 17.8800 9.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 18.4100 9.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9100 19.8000 10.2500 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7800 19.5700 9.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 20.7800 9.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 20.9900 10.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 20.4200 11.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7800 20.9100 12.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4900 21.3300 11.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2100 21.8600 10.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1400 19.3200 12.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0100 18.9900 11.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 18.1800 12.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6400 19.8900 13.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1600 19.1000 14.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3900 20.6800 13.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 20.4700 14.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 20.9200 15.6600 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1400 21.3600 15.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4100 19.9000 16.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 20.5200 17.9500 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6600 21.1700 17.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7700 21.3900 18.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9400 20.7000 18.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 21.7600 19.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0300 22.2300 19.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4600 22.5100 17.5700 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1800 23.3300 17.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2600 23.1700 17.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 23.8800 17.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3300 22.0700 16.1200 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2900 21.9000 15.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 23.2300 15.3300 O 0 0 0 0 0 0 0 0 0 0[cell cut: 8571 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-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose" 960.834 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" ? ? ? 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_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_labe[cell cut: 18520 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 6GA A 2 1.43 LINK O6 6GA 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 6GB A 5 1.46 LINK O6 6GB A 5 C1 6GB A 6 1.46 LINK O6 6GB A 6 C1 0XB A 7 1.46 ATOM 1 HO1 ROH 1 12.960 16.640 9.790 1.00 0.00 H ATOM 2 O1 ROH 1 13.030 16.870 10.720 1.00 0.00 O ATOM 3 C1 GLC 2 11.890 17.490 11.400 1.00 0.00 C ATOM 4 H1 GLC 2 11.140 16.760 11.700 1.00 0.00 H ATOM 5 C2 GLC 2 11.110 18.540 10.480 1.00 0.00 C ATOM 6 H2 GLC 2 10.220 18.870 11.020 1.00 0.00 H ATOM 7 O2 GLC 2 10.720 17.880 9.290 1.00 0.00 O ATOM 8 H2O GLC 2 9.980 18.410 9.000 1.00 0.00 H ATOM 9 C3 GLC 2 11.910 19.800 10.250 1.00 0.00 C ATOM 10 H3 GLC 2 12.780 19.570 9.620 1.00 0.00 H ATOM 11 O3 GLC 2 11.140 20.780 9.510 1.00 0.00 O ATOM 12 H3O GLC 2 10.360 20.990 10.040 1.00 0.00 H ATOM 13 C4 GLC 2 12.530 20.420 11.500 1.00 0.00 C ATOM 14 H4 GLC 2 11.780 20.910 12.120 1.00 0.00 H ATOM 15 O4 GLC 2 13.490 21.330 11.020 1.00 0.00 O ATOM 16 H4O GLC 2 13.210 21.860 10.270 1.00 0.00 H ATOM 17 C5 GLC 2 13.140 19.320 12.320 1.00 0.00 C ATOM 18 H5 GLC 2 14.010 18.990 11.750 1.00 0.00 H ATOM 19 O5 GLC 2 12.270 18.180 12.620 1.00 0.00 O ATOM 20 C6 GLC 2 13.640 19.890 13.600 1.00 0.00 C ATOM 21 H62 GLC 2 14.160 19.100 14.160 1.00 0.00 H ATOM 22 H61 GLC 2 14.390 20.680 13.490 1.00 0.00 H ATOM 23 O6 GLC 2 12.630 20.470 14.400 1.00 0.00 O ATOM 24 C1 GLC 3 13.170 20.920 15.660 1.00 0.00 C ATOM 25 H1 GLC 3 14.140 21.360 15.440 1.00 0.00 H ATOM 26 O5 GLC 3 13.410 19.900 16.700 1.00 0.00 O ATOM 27 C5 GLC 3 13.830 20.520 17.950 1.00 0.00 C ATOM 28 H5 GLC 3 14.660 21.170 17.670 1.00 0.00 H ATOM 29 C4 GLC 3 12.770 21.390 18.550 1.00 0.00 C ATOM 30 H4 GLC 3 11.940 20.700 18.630 1.00 0.00 H ATOM 31 O4 GLC 3 13.200 21.760 19.910 1.00 0.00 O ATOM 32 H4O GLC 3 14.030 22.230 19.840 1.00 0.00 H ATOM 33 C3 GLC 3 12.460 22.510 17.570 1.00 0.00 C ATOM 34 H3 GLC 3 13.180 23.330 17.650 1.00 0.00 H ATOM 35 O3 GLC 3 11.260 23.170 17.970 1.00 0.00 O ATOM 36 H3O GLC 3 11.090 23.880 17.350 1.00 0.00 H ATOM 37 C2 GLC [cell cut: 8571 characters, first 2000 kept]