G95236FU
has sequence: WURCS=2.0/3,3,2/[a211h-1a_1-5_2*OCC/3=O][a2122h-1b_1-5_4*OCC/3=O][a212h-1b_1-5]/1-2-3/a3-b1_b3-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410183D 68 70 0 0 1 0 0 0 0 0999 V2000 10.9300 12.1800 23.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5600 12.1900 22.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8800 12.2600 23.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8900 11.3700 23.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9700 13.3800 23.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 14.6900 23.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 14.8400 22.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 15.4400 24.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2100 14.8300 22.5700 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9100 14.6300 23.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 16.1800 22.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2600 16.1400 21.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3400 13.7500 21.5300 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3200 13.8000 21.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3200 13.9100 20.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0100 12.3400 22.0400 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7700 11.6900 21.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 11.8300 22.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9000 11.0100 21.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6700 11.3400 21.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7000 9.5500 22.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5600 9.4900 23.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5800 9.0200 22.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9500 9.0500 21.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7300 14.5800 19.2600 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7900 14.8300 19.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 15.8200 19.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 16.6000 17.9000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5100 16.7300 18.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8200 18.0000 17.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 17.9600 18.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0400 18.5400 17.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3400 18.8500 19.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0200 19.7500 18.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 15.8200 16.6400 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0400 15.8500 16.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 16.3700 15.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5900 14.3500 16.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6600 14.2700 16.4900 H 0 0 0 0 0 0 0 0 0 [cell cut: 4709 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-(1-3)-alpha-D-glucopyranose-(1-3)-alpha-L-arabinopyranose" 444.386 1 ? ? ? ? 2 non-polymer syn ? ? 1 ? ? ? ? 3 non-polymer syn "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" 972.844 2 ? ? ? ? # 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 3 3 ACX ACX ? . D 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 ARA "L-saccharide, alpha linking" . alpha-L-arabinopyranose "alpha-L-arabinose; L-arabinose; arabinose" "C5 H10 O5" 150.130 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_ _st[cell cut: 18837 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 ZaA A 2 1.43 LINK O3 ZaA A 2 C1 WGB A 4 1.46 LINK O2 ZaA A 2 C1A ACX A 3 1.32 LINK O4 WGB A 4 C1A ACX A 6 1.32 LINK O3 WGB A 4 C1 0XB A 5 1.46 ATOM 1 HO1 ROH 1 10.930 12.180 23.240 1.00 0.00 H ATOM 2 O1 ROH 1 11.560 12.190 22.520 1.00 0.00 O ATOM 3 C1 ARA 2 12.880 12.260 23.070 1.00 0.00 C ATOM 4 H1 ARA 2 12.890 11.370 23.710 1.00 0.00 H ATOM 5 O5 ARA 2 12.970 13.380 23.970 1.00 0.00 O ATOM 6 C5 ARA 2 12.910 14.690 23.360 1.00 0.00 C ATOM 7 H5A ARA 2 12.050 14.840 22.710 1.00 0.00 H ATOM 8 H5E ARA 2 12.850 15.440 24.150 1.00 0.00 H ATOM 9 C4 ARA 2 14.210 14.830 22.570 1.00 0.00 C ATOM 10 H4 ARA 2 14.910 14.630 23.380 1.00 0.00 H ATOM 11 O4 ARA 2 14.500 16.180 22.120 1.00 0.00 O ATOM 12 H4O ARA 2 15.260 16.140 21.530 1.00 0.00 H ATOM 13 C3 ARA 2 14.340 13.750 21.530 1.00 0.00 C ATOM 14 H3 ARA 2 15.320 13.800 21.050 1.00 0.00 H ATOM 15 O3 ARA 2 13.320 13.910 20.510 1.00 0.00 O ATOM 16 C2 ARA 2 14.010 12.340 22.040 1.00 0.00 C ATOM 17 H2 ARA 2 13.770 11.690 21.200 1.00 0.00 H ATOM 18 O2 ARA 2 15.210 11.830 22.700 1.00 0.00 O ATOM 19 C1A ACX 3 15.900 11.010 21.940 1.00 0.00 C ATOM 20 O1A ACX 3 16.670 11.340 21.030 1.00 0.00 O ATOM 21 C2A ACX 3 15.700 9.550 22.460 1.00 0.00 C ATOM 22 H1A ACX 3 15.560 9.490 23.540 1.00 0.00 H ATOM 23 H2A ACX 3 16.580 9.020 22.080 1.00 0.00 H ATOM 24 H3A ACX 3 14.950 9.050 21.850 1.00 0.00 H ATOM 25 C1 GLC 4 13.730 14.580 19.260 1.00 0.00 C ATOM 26 H1 GLC 4 14.790 14.830 19.260 1.00 0.00 H ATOM 27 O5 GLC 4 12.990 15.820 19.110 1.00 0.00 O ATOM 28 C5 GLC 4 13.440 16.600 17.900 1.00 0.00 C ATOM 29 H5 GLC 4 14.510 16.730 18.050 1.00 0.00 H ATOM 30 C6 GLC 4 12.820 18.000 17.950 1.00 0.00 C ATOM 31 H62 GLC 4 11.730 17.960 18.030 1.00 0.00 H ATOM 32 H61 GLC 4 13.040 18.540 17.030 1.00 0.00 H ATOM 33 O6 GLC 4 13.340 18.850 19.040 1.00 0.00 O ATOM 34 H6O GLC 4 13.020 19.750 18.890 1.00 0.00 H ATOM 35 C4 GLC 4 13.120 15.820 16.640 1.00 0.00 C ATOM 36 H4 GLC 4 12.040 15.850 16.480 1.00 0.00 H ATOM 37 O4 GLC 4 13.830 16.370 15.470 [cell cut: 4649 characters, first 2000 kept]