G82342WP
has sequence: WURCS=2.0/1,5,4/[a212h-1a_1-5]/1-1-1-1-1/a4-b1_b4-c1_c4-d1_d4-e1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412383D 88 92 0 0 1 0 0 0 0 0999 V2000 27.3300 19.5700 24.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6200 19.4700 24.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2900 20.7300 25.3700 C 0 0 2 0 0 0 0 0 0 0 0 0 27.2000 21.2900 25.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4900 20.6100 26.6600 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4000 21.5600 27.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1700 19.7300 27.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2400 18.8000 27.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1100 19.9700 26.4500 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2400 18.9200 26.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4800 20.1400 27.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0100 19.9200 28.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3100 20.7000 25.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8600 21.6200 25.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1400 20.9100 24.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5900 21.5800 23.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3500 20.0000 23.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4800 21.5200 24.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 19.8000 24.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8200 20.1900 25.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8200 20.5800 26.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0200 18.8600 24.9900 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9700 19.0000 25.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5100 17.8300 25.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4200 17.6500 25.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0900 18.4700 23.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1200 18.1700 23.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2500 17.3200 23.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3600 17.4200 23.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7200 19.5500 22.5200 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7100 19.8100 22.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6000 20.7000 22.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3300 21.5200 22.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5900 20.3500 22.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5300 21.1600 24.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8600 19.1400 21.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8300 19.7200 20.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8900 19.7300 20.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5100 18.8300 19.0700 C 0 0 2 0 0 0 0 [cell cut: 6066 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-(1-4)-alpha-D-xylopyranose-(1-4)-alpha-D-xylopyranose-(1-4)-alpha-D-xylopyranose-(1-4)-alpha-D-xylopyranose" 678.589 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 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_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 [cell cut: 14660 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4XA A 2 1.43 LINK O4 4XA A 2 C1 4XA A 3 1.46 LINK O4 4XA A 3 C1 4XA A 4 1.46 LINK O4 4XA A 4 C1 4XA A 5 1.46 LINK O4 4XA A 5 C1 0XA A 6 1.46 ATOM 1 HO1 ROH 1 27.330 19.570 24.100 1.00 0.00 H ATOM 2 O1 ROH 1 26.620 19.470 24.740 1.00 0.00 O ATOM 3 C1 XYS 2 26.290 20.730 25.370 1.00 0.00 C ATOM 4 H1 XYS 2 27.200 21.290 25.540 1.00 0.00 H ATOM 5 C2 XYS 2 25.490 20.610 26.660 1.00 0.00 C ATOM 6 H2 XYS 2 25.400 21.560 27.170 1.00 0.00 H ATOM 7 O2 XYS 2 26.170 19.730 27.580 1.00 0.00 O ATOM 8 H2O XYS 2 26.240 18.800 27.320 1.00 0.00 H ATOM 9 C3 XYS 2 24.110 19.970 26.450 1.00 0.00 C ATOM 10 H3 XYS 2 24.240 18.920 26.180 1.00 0.00 H ATOM 11 O3 XYS 2 23.480 20.140 27.630 1.00 0.00 O ATOM 12 H3O XYS 2 24.010 19.920 28.400 1.00 0.00 H ATOM 13 C4 XYS 2 23.310 20.700 25.360 1.00 0.00 C ATOM 14 H4 XYS 2 22.860 21.620 25.730 1.00 0.00 H ATOM 15 C5 XYS 2 24.140 20.910 24.110 1.00 0.00 C ATOM 16 H5E XYS 2 23.590 21.580 23.450 1.00 0.00 H ATOM 17 H5A XYS 2 24.350 20.000 23.550 1.00 0.00 H ATOM 18 O5 XYS 2 25.480 21.520 24.380 1.00 0.00 O ATOM 19 O4 XYS 2 22.290 19.800 24.980 1.00 0.00 O ATOM 20 C1 XYS 3 20.820 20.190 25.150 1.00 0.00 C ATOM 21 H1 XYS 3 20.820 20.580 26.170 1.00 0.00 H ATOM 22 C2 XYS 3 20.020 18.860 24.990 1.00 0.00 C ATOM 23 H2 XYS 3 18.970 19.000 25.220 1.00 0.00 H ATOM 24 O2 XYS 3 20.510 17.830 25.870 1.00 0.00 O ATOM 25 H2O XYS 3 21.420 17.650 25.640 1.00 0.00 H ATOM 26 C3 XYS 3 20.090 18.470 23.540 1.00 0.00 C ATOM 27 H3 XYS 3 21.120 18.170 23.350 1.00 0.00 H ATOM 28 O3 XYS 3 19.250 17.320 23.330 1.00 0.00 O ATOM 29 H3O XYS 3 18.360 17.420 23.700 1.00 0.00 H ATOM 30 C4 XYS 3 19.720 19.550 22.520 1.00 0.00 C ATOM 31 H4 XYS 3 18.710 19.810 22.820 1.00 0.00 H ATOM 32 C5 XYS 3 20.600 20.700 22.730 1.00 0.00 C ATOM 33 H5E XYS 3 20.330 21.520 22.080 1.00 0.00 H ATOM 34 H5A XYS 3 21.590 20.350 22.440 1.00 0.00 H ATOM 35 O5 XYS 3 20.530 21.160 24.170 1.00 0.00 O ATOM 36 O4 XYS 3 19.860 19.140 21.160 1.00 0.00 O ATOM 37 C1 XYS 4 18.830 19.720 20.320 1.[cell cut: 5983 characters, first 2000 kept]