G34450TH
has sequence: WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-1/a4-b1_b6-c1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162410463D 84 86 0 0 1 0 0 0 0 0999 V2000 21.9500 19.5700 14.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4600 19.6600 14.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3300 18.3800 13.4500 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0100 17.6300 13.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7200 18.7700 12.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9800 17.6900 11.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7700 17.1100 11.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5400 18.2400 9.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1200 17.5400 9.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2600 19.0300 10.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4800 18.7000 9.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0000 19.3800 9.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6600 16.9400 11.0500 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8500 17.4800 10.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9900 16.5800 12.4100 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4100 15.7000 12.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6300 16.2100 12.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6600 15.7500 11.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9600 17.7600 13.4100 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2700 18.5700 13.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7100 17.2400 14.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2700 16.4300 14.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1700 17.8500 15.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4600 18.8100 15.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3500 17.1900 17.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9600 16.1700 17.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3400 17.0000 17.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8900 17.8100 17.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9500 15.6600 10.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8600 15.3500 9.3000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6500 16.2400 8.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6000 14.9200 9.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5500 14.9400 8.8400 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5300 15.8800 8.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8800 13.8000 7.9000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1200 13.6400 7.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9800 12.6000 8.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5200 11.8500 8.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2000 14.0400 7.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1[cell cut: 5681 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 "2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose" 627.594 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 NAG "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE" "C8 H15 N O6" 221.208 NGA "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-galactopyranose "N-acetyl-beta-D-galactosamine; 2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-D-GALACTOSAMINE" "C8 H15 N O6" 221.208 ROH non-polymer . "UNKNOWN LIGAND" ? ? ? # loop_ _struct_conn.id _str[cell cut: 14929 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4YB A 2 1.43 LINK O4 4YB A 2 C1 6VB A 3 1.46 LINK O6 6VB A 3 C1 0YB A 4 1.46 ATOM 1 HO1 ROH 1 21.950 19.570 14.940 1.00 0.00 H ATOM 2 O1 ROH 1 21.460 19.660 14.110 1.00 0.00 O ATOM 3 C1 NAG 2 21.330 18.380 13.450 1.00 0.00 C ATOM 4 H1 NAG 2 22.010 17.630 13.860 1.00 0.00 H ATOM 5 O5 NAG 2 21.720 18.770 12.040 1.00 0.00 O ATOM 6 C5 NAG 2 21.980 17.690 11.130 1.00 0.00 C ATOM 7 H5 NAG 2 22.770 17.110 11.610 1.00 0.00 H ATOM 8 C6 NAG 2 22.540 18.240 9.850 1.00 0.00 C ATOM 9 H62 NAG 2 23.120 17.540 9.230 1.00 0.00 H ATOM 10 H61 NAG 2 23.260 19.030 10.070 1.00 0.00 H ATOM 11 O6 NAG 2 21.480 18.700 9.060 1.00 0.00 O ATOM 12 H6O NAG 2 21.000 19.380 9.530 1.00 0.00 H ATOM 13 C4 NAG 2 20.660 16.940 11.050 1.00 0.00 C ATOM 14 H4 NAG 2 19.850 17.480 10.550 1.00 0.00 H ATOM 15 C3 NAG 2 19.990 16.580 12.410 1.00 0.00 C ATOM 16 H3 NAG 2 20.410 15.700 12.890 1.00 0.00 H ATOM 17 O3 NAG 2 18.630 16.210 12.140 1.00 0.00 O ATOM 18 H3O NAG 2 18.660 15.750 11.290 1.00 0.00 H ATOM 19 C2 NAG 2 19.960 17.760 13.410 1.00 0.00 C ATOM 20 H2 NAG 2 19.270 18.570 13.160 1.00 0.00 H ATOM 21 N2 NAG 2 19.710 17.240 14.720 1.00 0.00 N ATOM 22 H2N NAG 2 20.270 16.430 14.970 1.00 0.00 H ATOM 23 C2N NAG 2 19.170 17.850 15.760 1.00 0.00 C ATOM 24 O2N NAG 2 18.460 18.810 15.540 1.00 0.00 O ATOM 25 CME NAG 2 19.350 17.190 17.110 1.00 0.00 C ATOM 26 H3M NAG 2 18.960 16.170 17.140 1.00 0.00 H ATOM 27 H2M NAG 2 20.340 17.000 17.510 1.00 0.00 H ATOM 28 H1M NAG 2 18.890 17.810 17.880 1.00 0.00 H ATOM 29 O4 NAG 2 20.950 15.660 10.270 1.00 0.00 O ATOM 30 C1 NGA 3 19.860 15.350 9.300 1.00 0.00 C ATOM 31 H1 NGA 3 19.650 16.240 8.720 1.00 0.00 H ATOM 32 O5 NGA 3 18.600 14.920 9.890 1.00 0.00 O ATOM 33 C5 NGA 3 17.550 14.940 8.840 1.00 0.00 C ATOM 34 H5 NGA 3 17.530 15.880 8.290 1.00 0.00 H ATOM 35 C4 NGA 3 17.880 13.800 7.900 1.00 0.00 C ATOM 36 H4 NGA 3 17.120 13.640 7.140 1.00 0.00 H ATOM 37 O4 NGA 3 17.980 12.600 8.810 1.00 0.00 O ATOM 38 H4O NGA 3 17.520 11.850 8.430 1.00 0.00 H ATOM 39 C3 NG[cell cut: 5621 characters, first 2000 kept]