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-(1-4)-beta-D-galactopyranose" 326.297 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
ROH non-polymer . "UNKNOWN LIGAND" ? ? ?
#
_struct_conn.id covale1
_struct_conn.conn_type_id covale
_struct_conn.pdbx_leaving_atom_flag both
_struct_conn.pdbx_PDB_id ?
_struct_conn.ptnr1_label_asym_id A
_struct_conn.ptnr1_label_comp_id GAL
_struct_conn.ptnr1_label_seq_id .
_struct_conn.ptnr1_label_atom_id O4
_struct_conn.pdbx_ptnr1_label_alt_id ?
_struct_conn.pdbx_ptnr1_PDB_ins_code ?
_struct_conn.pdbx_ptnr1_standard_comp_id ?
_struct_conn.ptnr1_symmetry 1_555
_struct_conn.ptnr2_label_asym_id A
_struct_conn.ptnr2_label_comp_id FUC
_struct_conn.ptnr2_label_seq_id .
_struct_conn.ptnr2_label_atom_id C1
_struct_conn.pdbx_ptnr2_label_alt_id ?
_struct_conn.pdbx_ptnr2_PDB_ins_code ?
_struct_conn.ptnr1_auth_asym_id ?
_struct_conn.ptnr1_auth_comp_id GAL
_struct_conn.ptnr1_auth_seq_id 1
_struct_conn.ptnr2_auth_asym_id ?
_struct_conn.ptnr2_auth_comp_id FUC
_struct_conn.ptnr2_auth_seq_id 2
_struct_conn.ptnr2_symmetry 1_555
_struct_conn.pdbx_ptnr3_label_atom_id ?
_struct_conn.pdbx_ptnr3_label_seq_id ?
_struct_conn.pdbx_ptnr3_label_comp_id ?
_struct_conn.pdbx_ptnr3_label_asym_id ?
_struct_conn.pdbx_ptnr3_label_alt_id ?
_struct_conn.pdbx_ptnr3_PDB_ins_code ?
_struct_conn.details ?
_struct_conn.pdbx_dist_value 1.470
_struct_conn.pdbx_value_order sing
_struct_conn.pdbx_role ?
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A N N 1 ?
B N N 2 ?
#
_atom_sites.entry_id MD_SNFG
_atom_sites.fract_transf_matrix[1][1] 1.000000
_atom_sites.fract_transf_matrix[1][2] 0.000000
_atom_sites.fract_transf_matrix[1][3] 0.000000
_atom_sites.fract_transf_matrix[2][1] 0.000000
_atom_sites.fract_transf_matrix[2][2] 1.000000
_atom_sites.fract_transf_matrix[2][3] 0.000000
_atom_sites.fract_transf_matrix[3][1] 0.000000
_atom_sites.fract_transf_matrix[3][2] 0.000000
_atom_sites.fract_transf_matrix[3][3] 1.000000
_atom_sites.fract_transf_vector[1] 0.00000
_atom_sites.fract_transf_vector[2] 0.00000
_atom_sites.fract_transf_vector[3] 0.00000
#
_pdbx_validate_close_contact.id 1
_pdbx_validate_close_contact.PDB_model_num 1
_pdbx_validate_close_contact.auth_atom_id_1 O1
_pdbx_validate_close_contact.auth_asym_id_1 .
_pdbx_validate_close_contact.auth_comp_id_1 ROH
_pdbx_validate_close_contact.auth_seq_id_1 1
_pdbx_validate_close_contact.PDB_ins_code_1 ?
_pdbx_validate_close_contact.label_alt_id_1 ?
_pdbx_validate_close_contact.auth_atom_id_2 C1
_pdbx_validate_close_contact.auth_asym_id_2 .
_pdbx_validate_close_contact.auth_comp_id_2 GAL
_pdbx_validate_close_contact.auth_seq_id_2 1
_pdbx_validate_close_contact.PDB_ins_code_2 ?
_pdbx_validate_close_contact.label_alt_id_2 ?
_pdbx_validate_close_contact.dist 1.45
#
_pdbx_unobs_or_zero_occ_atoms.id 1
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1
_pdbx_unobs_or_zero_occ_atoms.polymer_flag N
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id .
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id GAL
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 1
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ?
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id O1
_pdbx_unobs_or_zero_occ_atoms.label_alt_id ?
_pdbx_unobs_or_zero_occ_atoms.label_asym_id A
_pdbx_unobs_or_zero_occ_atoms.label_comp_id GAL
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 1
_pdbx_unobs_or_zero_occ_atoms.label_atom_id O1
#
loop_
_atom_type.symbol
C
H
O
#
_entry.id MD_SNFG
#
loop_
_pdbx_branch_scheme.asym_id
_pdbx_branch_scheme.entity_id
_pdbx_branch_scheme.mon_id
_pdbx_branch_scheme.num
_pdbx_branch_scheme.pdb_asym_id
_pdbx_branch_scheme.pdb_mon_id
_pdbx_branch_scheme.pdb_seq_num
_pdbx_branch_scheme.auth_asym_id
_pdbx_branch_scheme.auth_mon_id
_pdbx_branch_scheme.auth_seq_num
_pdbx_branch_scheme.hetero
A 1 GAL 1 . GAL 1 ? GAL 2 n
A 1 FUC 2 . FUC 2 ? FUC 3 n
#
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
FUC "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LFucpa
FUC "COMMON NAME" GMML 1.0 a-L-fucopyranose
FUC "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Fucp
FUC "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Fuc
GAL "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGalpb
GAL "COMMON NAME" GMML 1.0 b-D-galactopyranose
GAL "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-Galp
GAL "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Gal
#
_pdbx_entity_branch.entity_id 1
_pdbx_entity_branch.type oligosaccharide
#
_pdbx_entity_branch_descriptor.ordinal 1
_pdbx_entity_branch_descriptor.entity_id 1
_pdbx_entity_branch_descriptor.descriptor LFucpa1-4DGalpb1-ROH
_pdbx_entity_branch_descriptor.type "Glycam Condensed Sequence"
_pdbx_entity_branch_descriptor.program GMML
_pdbx_entity_branch_descriptor.program_version 1.0
#
_pdbx_entity_branch_link.link_id 1
_pdbx_entity_branch_link.entity_id 1
_pdbx_entity_branch_link.entity_branch_list_num_1 2
_pdbx_entity_branch_link.comp_id_1 FUC
_pdbx_entity_branch_link.atom_id_1 C1
_pdbx_entity_branch_link.leaving_atom_id_1 O1
_pdbx_entity_branch_link.entity_branch_list_num_2 1
_pdbx_entity_branch_link.comp_id_2 GAL
_pdbx_entity_branch_link.atom_id_2 O4
_pdbx_entity_branch_link.leaving_atom_id_2 HO4
_pdbx_entity_branch_link.value_order sing
_pdbx_entity_branch_link.details ?
#
loop_
_pdbx_entity_branch_list.entity_id
_pdbx_entity_branch_list.comp_id
_pdbx_entity_branch_list.num
_pdbx_entity_branch_list.hetero
1 GAL 1 n
1 FUC 2 n
#
_pdbx_entity_nonpoly.entity_id 2
_pdbx_entity_nonpoly.name ?
_pdbx_entity_nonpoly.comp_id ROH
#
_struct_conn_type.id covale
_struct_conn_type.criteria ?
_struct_conn_type.reference ?
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.pdbx_PDB_model_num
HETATM 1 C C1 . GAL A 1 . ? 18.490 18.910 15.290 1.00 0.00 ? 1 GAL ? C1 1
HETATM 2 C C2 . GAL A 1 . ? 17.340 17.860 15.300 1.00 0.00 ? 1 GAL ? C2 1
HETATM 3 C C3 . GAL A 1 . ? 16.370 18.180 16.340 1.00 0.00 ? 1 GAL ? C3 1
HETATM 4 C C4 . GAL A 1 . ? 17.000 18.420 17.730 1.00 0.00 ? 1 GAL ? C4 1
HETATM 5 C C5 . GAL A 1 . ? 18.210 19.330 17.760 1.00 0.00 ? 1 GAL ? C5 1
HETATM 6 C C6 . GAL A 1 . ? 19.000 19.580 19.050 1.00 0.00 ? 1 GAL ? C6 1
HETATM 7 O O2 . GAL A 1 . ? 16.680 17.940 14.010 1.00 0.00 ? 1 GAL ? O2 1
HETATM 8 O O3 . GAL A 1 . ? 15.290 17.170 16.480 1.00 0.00 ? 1 GAL ? O3 1
HETATM 9 O O4 . GAL A 1 . ? 17.420 17.200 18.430 1.00 0.00 ? 1 GAL ? O4 1
HETATM 10 O O5 . GAL A 1 . ? 19.100 18.950 16.600 1.00 0.00 ? 1 GAL ? O5 1
HETATM 11 O O6 . GAL A 1 . ? 19.790 20.790 18.920 1.00 0.00 ? 1 GAL ? O6 1
HETATM 12 H H1 . GAL A 1 . ? 18.020 19.880 15.100 1.00 0.00 ? 1 GAL ? H1 1
HETATM 13 H H2 . GAL A 1 . ? 17.650 16.830 15.470 1.00 0.00 ? 1 GAL ? H2 1
HETATM 14 H H3 . GAL A 1 . ? 15.860 19.110 16.070 1.00 0.00 ? 1 GAL ? H3 1
HETATM 15 H H4 . GAL A 1 . ? 16.190 18.860 18.310 1.00 0.00 ? 1 GAL ? H4 1
HETATM 16 H H5 . GAL A 1 . ? 17.780 20.290 17.480 1.00 0.00 ? 1 GAL ? H5 1
HETATM 17 H H61 . GAL A 1 . ? 18.230 19.810 19.780 1.00 0.00 ? 1 GAL ? H61 1
HETATM 18 H H62 . GAL A 1 . ? 19.510 18.680 19.390 1.00 0.00 ? 1 GAL ? H62 1
HETATM 19 H H6O . GAL A 1 . ? 20.230 21.000 19.750 1.00 0.00 ? 1 GAL ? H6O 1
HETATM 20 H H3O . GAL A 1 . ? 15.460 16.420 15.900 1.00 0.00 ? 1 GAL ? H3O 1
HETATM 21 H H2O . GAL A 1 . ? 17.320 17.630 13.360 1.00 0.00 ? 1 GAL ? H2O 1
HETATM 22 C C1 . FUC A 1 . ? 16.470 16.780 19.470 1.00 0.00 ? 2 FUC ? C1 1
HETATM 23 C C2 . FUC A 1 . ? 16.260 15.260 19.320 1.00 0.00 ? 2 FUC ? C2 1
HETATM 24 C C3 . FUC A 1 . ? 17.340 14.400 19.910 1.00 0.00 ? 2 FUC ? C3 1
HETATM 25 C C4 . FUC A 1 . ? 17.880 14.950 21.260 1.00 0.00 ? 2 FUC ? C4 1
HETATM 26 C C5 . FUC A 1 . ? 18.210 16.470 21.150 1.00 0.00 ? 2 FUC ? C5 1
HETATM 27 C C6 . FUC A 1 . ? 18.700 16.880 22.560 1.00 0.00 ? 2 FUC ? C6 1
HETATM 28 O O2 . FUC A 1 . ? 16.110 14.850 17.890 1.00 0.00 ? 2 FUC ? O2 1
HETATM 29 O O3 . FUC A 1 . ? 16.930 13.020 20.080 1.00 0.00 ? 2 FUC ? O3 1
HETATM 30 O O4 . FUC A 1 . ? 16.860 14.690 22.270 1.00 0.00 ? 2 FUC ? O4 1
HETATM 31 O O5 . FUC A 1 . ? 17.040 17.280 20.690 1.00 0.00 ? 2 FUC ? O5 1
HETATM 32 H H1 . FUC A 1 . ? 15.530 17.270 19.230 1.00 0.00 ? 2 FUC ? H1 1
HETATM 33 H H2 . FUC A 1 . ? 15.320 14.950 19.780 1.00 0.00 ? 2 FUC ? H2 1
HETATM 34 H H3 . FUC A 1 . ? 18.250 14.410 19.300 1.00 0.00 ? 2 FUC ? H3 1
HETATM 35 H H4 . FUC A 1 . ? 18.740 14.370 21.570 1.00 0.00 ? 2 FUC ? H4 1
HETATM 36 H H5 . FUC A 1 . ? 19.040 16.670 20.480 1.00 0.00 ? 2 FUC ? H5 1
HETATM 37 H H61 . FUC A 1 . ? 19.710 16.580 22.820 1.00 0.00 ? 2 FUC ? H61 1
HETATM 38 H H62 . FUC A 1 . ? 18.010 16.580 23.350 1.00 0.00 ? 2 FUC ? H62 1
HETATM 39 H H63 . FUC A 1 . ? 18.690 17.970 22.540 1.00 0.00 ? 2 FUC ? H63 1
HETATM 40 H H4O . FUC A 1 . ? 16.500 13.810 22.110 1.00 0.00 ? 2 FUC ? H4O 1
HETATM 41 H H3O . FUC A 1 . ? 16.530 12.800 19.230 1.00 0.00 ? 2 FUC ? H3O 1
HETATM 42 H H2O . FUC A 1 . ? 16.970 15.010 17.510 1.00 0.00 ? 2 FUC ? H2O 1
HETATM 43 H HO1 . ROH B 2 . ? 19.920 19.550 14.270 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 44 O O1 . ROH B 2 . ? 19.490 18.690 14.260 1.00 0.00 ? 1 ROH ? O1 1
#