G54866MU
has sequence: WURCS=2.0/2,2,1/[a2122h-1b_1-5][a2211m-1a_1-5_2*OCC/3=O_3*OCC/3=O_4*OCC/3=O]/1-2/a2-b1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162411303D 59 60 0 0 1 0 0 0 0 0999 V2000 22.9200 10.1300 5.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7100 10.7300 6.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1900 10.0100 7.6300 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6300 9.0200 7.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8000 9.8000 7.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9400 9.1900 8.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3100 8.1700 8.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4600 9.0300 7.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7500 8.9800 8.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3400 8.1200 7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1700 10.1000 6.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0600 10.8400 7.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0400 10.0000 9.6400 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5300 10.9100 9.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2600 9.3100 10.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8800 8.9300 11.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 10.2400 10.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9400 9.3000 10.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4100 11.1600 11.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2200 11.3300 11.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3600 10.8100 8.9700 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2400 11.8900 8.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8100 10.6300 9.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7100 11.7900 9.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 24.3700 12.7500 9.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0600 11.9600 7.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8600 10.9100 7.0700 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2900 9.9800 6.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1200 11.4900 5.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7500 12.3700 5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1500 11.6900 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5700 10.7200 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1100 10.5900 7.8400 C 0 0 2 0 0 0 0 0 0 0 0 0 27.8400 11.3600 7.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5600 9.2900 7.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8700 10.3900 9.3700 C 0 0 1 0 0 0 0 0 0 0 0 0 26.2700 9.4800 9.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1600 10.2200 10.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0500 11.6200 9.9500 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8700 11.3900 11.0000 H 0 0 0 0 0[cell cut: 4044 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-L-rhamnopyranose-(1-2)-alpha-D-glucopyranose" 326.297 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? 3 non-polymer syn "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" 972.844 3 ? ? ? ? # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 ROH 1 1 1 ROH ROH ? . C 3 ACX 1 4 4 ACX ACX ? . D 3 ACX 1 5 5 ACX ACX ? . E 3 ACX 1 6 6 ACX ACX ? . # 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 ACX saccharide . "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" ? "C36 H60 O30" 972.844 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156 RAM "L-saccharide, alpha linking" . alpha-L-rhamnopyranose "alpha-L-rhamnose; 6-deoxy-alpha-L-mannopyranose; L-rhamnose; rhamnose" "C6 H12 O5" 164.156 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag both _struct_conn[cell cut: 19644 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 2GB A 2 1.43 LINK O2 2GB A 2 C1 ThA A 3 1.46 LINK O4 ThA A 3 C1A ACX A 6 1.32 LINK O3 ThA A 3 C1A ACX A 5 1.32 LINK O2 ThA A 3 C1A ACX A 4 1.32 ATOM 1 HO1 ROH 1 22.920 10.130 5.840 1.00 0.00 H ATOM 2 O1 ROH 1 22.710 10.730 6.550 1.00 0.00 O ATOM 3 C1 GLC 2 22.190 10.010 7.630 1.00 0.00 C ATOM 4 H1 GLC 2 22.630 9.020 7.800 1.00 0.00 H ATOM 5 O5 GLC 2 20.800 9.800 7.280 1.00 0.00 O ATOM 6 C5 GLC 2 19.940 9.190 8.320 1.00 0.00 C ATOM 7 H5 GLC 2 20.310 8.170 8.320 1.00 0.00 H ATOM 8 C6 GLC 2 18.460 9.030 7.890 1.00 0.00 C ATOM 9 H62 GLC 2 17.750 8.980 8.720 1.00 0.00 H ATOM 10 H61 GLC 2 18.340 8.120 7.300 1.00 0.00 H ATOM 11 O6 GLC 2 18.170 10.100 6.990 1.00 0.00 O ATOM 12 H6O GLC 2 18.060 10.840 7.590 1.00 0.00 H ATOM 13 C4 GLC 2 20.040 10.000 9.640 1.00 0.00 C ATOM 14 H4 GLC 2 19.530 10.910 9.320 1.00 0.00 H ATOM 15 O4 GLC 2 19.260 9.310 10.620 1.00 0.00 O ATOM 16 H4O GLC 2 19.880 8.930 11.250 1.00 0.00 H ATOM 17 C3 GLC 2 21.500 10.240 10.070 1.00 0.00 C ATOM 18 H3 GLC 2 21.940 9.300 10.390 1.00 0.00 H ATOM 19 O3 GLC 2 21.410 11.160 11.240 1.00 0.00 O ATOM 20 H3O GLC 2 22.220 11.330 11.720 1.00 0.00 H ATOM 21 C2 GLC 2 22.360 10.810 8.970 1.00 0.00 C ATOM 22 H2 GLC 2 22.240 11.890 8.920 1.00 0.00 H ATOM 23 O2 GLC 2 23.810 10.630 9.460 1.00 0.00 O ATOM 24 C1 RAM 3 24.710 11.790 9.150 1.00 0.00 C ATOM 25 H1 RAM 3 24.370 12.750 9.540 1.00 0.00 H ATOM 26 O5 RAM 3 25.060 11.960 7.750 1.00 0.00 O ATOM 27 C5 RAM 3 25.860 10.910 7.070 1.00 0.00 C ATOM 28 H5 RAM 3 25.290 9.980 6.970 1.00 0.00 H ATOM 29 C6 RAM 3 26.120 11.490 5.740 1.00 0.00 C ATOM 30 H61 RAM 3 26.750 12.370 5.800 1.00 0.00 H ATOM 31 H62 RAM 3 25.150 11.690 5.290 1.00 0.00 H ATOM 32 H63 RAM 3 26.570 10.720 5.110 1.00 0.00 H ATOM 33 C4 RAM 3 27.110 10.590 7.840 1.00 0.00 C ATOM 34 H4 RAM 3 27.840 11.360 7.630 1.00 0.00 H ATOM 35 O4 RAM 3 27.560 9.290 7.320 1.00 0.00 O ATOM 36 C3 RAM 3 26.870 10.390 9.370 1.00 0.00 C ATOM 37 H3 RAM 3 26.270 9.480 9.350 1.00 0.00 H ATOM 38 O3 RAM 3 28.160 10.220 [cell cut: 3996 characters, first 2000 kept]