G31567WT
has sequence: WURCS=2.0/5,12,11/[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]/1-2-3-2-3-2-4-5-3-2-4-5/a4-b1_b3-c1_c3-d1_d3-e1_d6-i1_e3-f1_f2-g1_f3-h1_i4-j1_j2-k1_j3-l1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412313D 283294 0 0 1 0 0 0 0 0999 V2000 11.3500 17.6400 19.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 16.7400 20.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7300 16.4600 20.2800 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8300 15.4700 20.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2600 17.5100 21.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7900 17.4700 21.3900 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9000 16.5100 21.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1000 18.6400 22.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5500 19.4500 21.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1800 18.8200 22.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6100 18.3700 23.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 19.2000 24.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6000 17.4600 20.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4600 18.3500 19.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9400 16.4100 19.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9900 15.3600 19.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6600 16.5000 17.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6000 16.6400 17.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3700 16.5000 18.9200 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1500 17.4900 18.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9300 15.4300 18.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4600 15.7800 17.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0100 17.1300 20.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0800 17.8900 19.7500 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7900 18.9400 19.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0300 17.7100 18.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1100 18.2500 17.5300 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0500 19.3400 17.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8900 17.7800 16.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7900 16.6900 16.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6000 18.0200 15.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5900 18.1700 15.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0300 18.3100 16.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3800 17.7200 18.1000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0700 18.3300 17.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5800 16.2900 17.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4900 16.1400 17.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5600 18.1000 19.5700 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7300 19.1500 19.8000 H 0 0 0 0 0 0 0[cell cut: 19396 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-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[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-(1-6)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose ; 2136.965 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-sacch[cell cut: 33894 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4GB A 2 1.43 LINK O4 4GB A 2 C1 3LB A 3 1.46 LINK O3 3LB A 3 C1 3YB A 4 1.46 LINK O3 3YB A 4 C1 VLB A 5 1.46 LINK O6 VLB A 5 C1 4YB A 10 1.46 LINK O3 VLB A 5 C1 3YB A 6 1.46 LINK O3 3YB A 6 C1 ZLB A 7 1.46 LINK O3 ZLB A 7 C1 0VA A 9 1.46 LINK O2 ZLB A 7 C1 0fA A 8 1.46 LINK O4 4YB A 10 C1 ZLB A 11 1.46 LINK O3 ZLB A 11 C1 0VA A 13 1.46 LINK O2 ZLB A 11 C1 0fA A 12 1.46 ATOM 1 HO1 ROH 1 11.350 17.640 19.670 1.00 0.00 H ATOM 2 O1 ROH 1 11.370 16.740 20.010 1.00 0.00 O ATOM 3 C1 GLC 2 12.730 16.460 20.280 1.00 0.00 C ATOM 4 H1 GLC 2 12.830 15.470 20.720 1.00 0.00 H ATOM 5 O5 GLC 2 13.260 17.510 21.200 1.00 0.00 O ATOM 6 C5 GLC 2 14.790 17.470 21.390 1.00 0.00 C ATOM 7 H5 GLC 2 14.900 16.510 21.890 1.00 0.00 H ATOM 8 C6 GLC 2 15.100 18.640 22.340 1.00 0.00 C ATOM 9 H62 GLC 2 14.550 19.450 21.860 1.00 0.00 H ATOM 10 H61 GLC 2 16.180 18.820 22.300 1.00 0.00 H ATOM 11 O6 GLC 2 14.610 18.370 23.750 1.00 0.00 O ATOM 12 H6O GLC 2 14.720 19.200 24.220 1.00 0.00 H ATOM 13 C4 GLC 2 15.600 17.460 20.070 1.00 0.00 C ATOM 14 H4 GLC 2 15.460 18.350 19.460 1.00 0.00 H ATOM 15 C3 GLC 2 14.940 16.410 19.070 1.00 0.00 C ATOM 16 H3 GLC 2 14.990 15.360 19.380 1.00 0.00 H ATOM 17 O3 GLC 2 15.660 16.500 17.800 1.00 0.00 O ATOM 18 H3O GLC 2 16.600 16.640 17.860 1.00 0.00 H ATOM 19 C2 GLC 2 13.370 16.500 18.920 1.00 0.00 C ATOM 20 H2 GLC 2 13.150 17.490 18.510 1.00 0.00 H ATOM 21 O2 GLC 2 12.930 15.430 18.040 1.00 0.00 O ATOM 22 H2O GLC 2 12.460 15.780 17.280 1.00 0.00 H ATOM 23 O4 GLC 2 17.010 17.130 20.380 1.00 0.00 O ATOM 24 C1 GAL 3 18.080 17.890 19.750 1.00 0.00 C ATOM 25 H1 GAL 3 17.790 18.940 19.830 1.00 0.00 H ATOM 26 O5 GAL 3 18.030 17.710 18.290 1.00 0.00 O ATOM 27 C5 GAL 3 19.110 18.250 17.530 1.00 0.00 C ATOM 28 H5 GAL 3 19.050 19.340 17.570 1.00 0.00 H ATOM 29 C6 GAL 3 18.890 17.780 16.060 1.00 0.00 C ATOM 30 H62 GAL 3 18.790 16.690 16.130 1.00 0.00 H ATOM 31 H61 GAL 3 19.600 18.020 15.270 1.00 0.00 H ATOM 32 O6 GAL 3 17.590 18.170 15.500 1.00 0.00 O ATOM 33 H6[cell cut: 20003 characters, first 2000 kept]