G88582ZD
has sequence: WURCS=2.0/4,19,18/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-1-4-1-4-3-1-4-1-4-1-4-1-4/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-i1_e4-f1_f3-g1_g4-h1_i4-j1_k2-l1_k6-p1_l4-m1_m3-n1_n4-o1_p4-q1_q3-r1_r4-s1
in carbohydrate format: carbohydrate format wurcs
sdf: md.pdb OpenBabel05162412413D 456474 0 0 1 0 0 0 0 0999 V2000 8.3900 25.1100 40.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 24.8600 41.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 23.8200 40.6100 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8500 23.2500 40.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6000 22.8600 41.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 21.7300 40.5400 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3600 21.1300 40.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 20.9500 41.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7100 21.5900 42.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 20.1600 41.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1100 20.3800 42.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2800 19.4400 42.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0400 22.3600 39.4200 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8400 22.9500 39.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 23.2700 38.5400 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3600 22.6100 38.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 23.8700 37.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 23.9200 36.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 24.4300 39.4100 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2500 25.1200 39.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6100 25.2100 38.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 24.8300 38.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8300 26.4600 38.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 27.0700 38.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 27.1800 37.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 28.2300 37.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 26.9800 36.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 26.7400 37.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 21.1900 38.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1000 21.2700 38.3100 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6400 21.8500 39.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2400 21.9700 37.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5800 22.3700 36.7300 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9900 22.8700 37.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 23.3200 35.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 22.7400 34.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4600 23.7000 35.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6600 24.4600 35.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1500 24.1900 36.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 [cell cut: 31302 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 ;beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; 3468.158 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 GAL "[cell cut: 48585 characters, first 2000 kept]
pdb: LINK O1 ROH A 1 C1 4YB A 2 1.43 LINK O4 4YB A 2 C1 4YB A 3 1.46 LINK O4 4YB A 3 C1 VMB A 4 1.46 LINK O6 VMB A 4 C1 XMA A 12 1.46 LINK O3 VMB A 4 C1 YMA A 5 1.46 LINK O4 YMA A 5 C1 4YB A 10 1.46 LINK O2 YMA A 5 C1 4YB A 6 1.46 LINK O4 4YB A 6 C1 3LB A 7 1.46 LINK O3 3LB A 7 C1 4YB A 8 1.46 LINK O4 4YB A 8 C1 0LB A 9 1.46 LINK O4 4YB A 10 C1 0LB A 11 1.46 LINK O6 XMA A 12 C1 4YB A 17 1.46 LINK O2 XMA A 12 C1 4YB A 13 1.46 LINK O4 4YB A 13 C1 3LB A 14 1.46 LINK O3 3LB A 14 C1 4YB A 15 1.46 LINK O4 4YB A 15 C1 0LB A 16 1.46 LINK O4 4YB A 17 C1 3LB A 18 1.46 LINK O3 3LB A 18 C1 4YB A 19 1.46 LINK O4 4YB A 19 C1 0LB A 20 1.46 ATOM 1 HO1 ROH 1 8.390 25.110 40.980 1.00 0.00 H ATOM 2 O1 ROH 1 9.200 24.860 41.420 1.00 0.00 O ATOM 3 C1 NAG 2 9.750 23.820 40.610 1.00 0.00 C ATOM 4 H1 NAG 2 8.850 23.250 40.340 1.00 0.00 H ATOM 5 O5 NAG 2 10.600 22.860 41.380 1.00 0.00 O ATOM 6 C5 NAG 2 11.170 21.730 40.540 1.00 0.00 C ATOM 7 H5 NAG 2 10.360 21.130 40.120 1.00 0.00 H ATOM 8 C6 NAG 2 11.960 20.950 41.610 1.00 0.00 C ATOM 9 H62 NAG 2 12.710 21.590 42.090 1.00 0.00 H ATOM 10 H61 NAG 2 12.510 20.160 41.110 1.00 0.00 H ATOM 11 O6 NAG 2 11.110 20.380 42.680 1.00 0.00 O ATOM 12 H6O NAG 2 11.280 19.440 42.720 1.00 0.00 H ATOM 13 C4 NAG 2 12.040 22.360 39.420 1.00 0.00 C ATOM 14 H4 NAG 2 12.840 22.950 39.870 1.00 0.00 H ATOM 15 C3 NAG 2 11.120 23.270 38.540 1.00 0.00 C ATOM 16 H3 NAG 2 10.360 22.610 38.120 1.00 0.00 H ATOM 17 O3 NAG 2 11.860 23.870 37.430 1.00 0.00 O ATOM 18 H3O NAG 2 11.300 23.920 36.650 1.00 0.00 H ATOM 19 C2 NAG 2 10.500 24.430 39.410 1.00 0.00 C ATOM 20 H2 NAG 2 11.250 25.120 39.800 1.00 0.00 H ATOM 21 N2 NAG 2 9.610 25.210 38.560 1.00 0.00 N ATOM 22 H2N NAG 2 8.680 24.830 38.450 1.00 0.00 H ATOM 23 C2N NAG 2 9.830 26.460 38.230 1.00 0.00 C ATOM 24 O2N NAG 2 10.860 27.070 38.540 1.00 0.00 O ATOM 25 CME NAG 2 8.760 27.180 37.470 1.00 0.00 C ATOM 26 H3M NAG 2 8.730 28.230 37.760 1.00 0.00 H ATOM 27 H2M NAG 2 8.950 26.980 36.410 1.00 0.00 H ATOM 28 H1M NAG 2 7.770 26.740[cell cut: 32626 characters, first 2000 kept]