G99509IG
has sequence: WURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-4-5/a4-b1_b2-c1_c4-d1_d2-e1_d3-f1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412113D 140145 0 0 1 0 0 0 0 0999 V2000 14.1500 16.1600 24.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7000 15.4600 25.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 15.8000 24.8900 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5900 14.8900 25.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5300 16.8400 25.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9900 17.1700 25.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5700 16.2500 25.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4600 18.1100 26.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9300 19.0400 26.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5200 18.3300 26.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0200 17.5000 27.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1200 17.2600 27.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0100 17.7300 24.1700 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5500 18.7100 24.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4400 16.8400 23.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0000 15.9100 22.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5500 17.5900 21.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4700 17.8000 21.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0200 16.3800 23.4400 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3700 17.2500 23.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6700 15.5000 22.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8900 15.9900 21.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4400 17.8500 23.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8300 19.2800 23.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3800 20.0000 24.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4000 19.6800 22.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8800 21.0300 21.7500 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6800 21.8200 22.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2400 21.3400 20.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1400 20.4800 19.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0100 21.9700 19.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0200 22.1000 20.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2600 22.9400 20.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3800 20.9300 21.7300 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6800 21.9600 21.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8200 20.1200 20.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7200 20.4100 20.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8700 20.6300 23.1100 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5500 21.3800 23.8400 H 0 0 0 0 0 0 0[cell cut: 9552 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-fucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose" 1056.964 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 FUC "L-saccharide, alpha linking" . alpha-L-fucopyranose "alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose" "C6 H12 O5" 164.156 GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "C6 H12 O6" 180.156 GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156 NAG "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-b[cell cut: 21086 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4GB A 2 1.43 LINK O4 4GB A 2 C1 2LB A 3 1.46 LINK O2 2LB A 3 C1 4YB A 4 1.46 LINK O4 4YB A 4 C1 ZLB A 5 1.46 LINK O3 ZLB A 5 C1 0VA A 7 1.46 LINK O2 ZLB A 5 C1 0fA A 6 1.46 ATOM 1 HO1 ROH 1 14.150 16.160 24.970 1.00 0.00 H ATOM 2 O1 ROH 1 14.700 15.460 25.330 1.00 0.00 O ATOM 3 C1 GLC 2 16.000 15.800 24.890 1.00 0.00 C ATOM 4 H1 GLC 2 16.590 14.890 25.040 1.00 0.00 H ATOM 5 O5 GLC 2 16.530 16.840 25.820 1.00 0.00 O ATOM 6 C5 GLC 2 17.990 17.170 25.590 1.00 0.00 C ATOM 7 H5 GLC 2 18.570 16.250 25.600 1.00 0.00 H ATOM 8 C6 GLC 2 18.460 18.110 26.690 1.00 0.00 C ATOM 9 H62 GLC 2 17.930 19.040 26.510 1.00 0.00 H ATOM 10 H61 GLC 2 19.520 18.330 26.830 1.00 0.00 H ATOM 11 O6 GLC 2 18.020 17.500 27.890 1.00 0.00 O ATOM 12 H6O GLC 2 17.120 17.260 27.650 1.00 0.00 H ATOM 13 C4 GLC 2 18.010 17.730 24.170 1.00 0.00 C ATOM 14 H4 GLC 2 17.550 18.710 24.300 1.00 0.00 H ATOM 15 C3 GLC 2 17.440 16.840 23.070 1.00 0.00 C ATOM 16 H3 GLC 2 18.000 15.910 22.990 1.00 0.00 H ATOM 17 O3 GLC 2 17.550 17.590 21.820 1.00 0.00 O ATOM 18 H3O GLC 2 18.470 17.800 21.670 1.00 0.00 H ATOM 19 C2 GLC 2 16.020 16.380 23.440 1.00 0.00 C ATOM 20 H2 GLC 2 15.370 17.250 23.390 1.00 0.00 H ATOM 21 O2 GLC 2 15.670 15.500 22.370 1.00 0.00 O ATOM 22 H2O GLC 2 15.890 15.990 21.580 1.00 0.00 H ATOM 23 O4 GLC 2 19.440 17.850 23.820 1.00 0.00 O ATOM 24 C1 GAL 3 19.830 19.280 23.500 1.00 0.00 C ATOM 25 H1 GAL 3 19.380 20.000 24.180 1.00 0.00 H ATOM 26 O5 GAL 3 19.400 19.680 22.150 1.00 0.00 O ATOM 27 C5 GAL 3 19.880 21.030 21.750 1.00 0.00 C ATOM 28 H5 GAL 3 19.680 21.820 22.470 1.00 0.00 H ATOM 29 C6 GAL 3 19.240 21.340 20.330 1.00 0.00 C ATOM 30 H62 GAL 3 19.140 20.480 19.670 1.00 0.00 H ATOM 31 H61 GAL 3 20.010 21.970 19.880 1.00 0.00 H ATOM 32 O6 GAL 3 18.020 22.100 20.570 1.00 0.00 O ATOM 33 H6O GAL 3 18.260 22.940 20.980 1.00 0.00 H ATOM 34 C4 GAL 3 21.380 20.930 21.730 1.00 0.00 C ATOM 35 H4 GAL 3 21.680 21.960 21.540 1.00 0.00 H ATOM 36 O4 GAL 3 21.820 20.120 20.610 1.00 0.00 O ATOM 37 [cell cut: 9610 characters, first 2000 kept]