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-(1-2)-[beta-D-galactopyranose-(1-3)]alpha-D-glucopyranose" 504.438 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 "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
ROH non-polymer . "UNKNOWN LIGAND" ? ? ?
#
loop_
_struct_conn.id
_struct_conn.conn_type_id
_struct_conn.pdbx_leaving_atom_flag
_struct_conn.pdbx_PDB_id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_comp_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_label_atom_id
_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
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_comp_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_label_atom_id
_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
_struct_conn.ptnr1_auth_seq_id
_struct_conn.ptnr2_auth_asym_id
_struct_conn.ptnr2_auth_comp_id
_struct_conn.ptnr2_auth_seq_id
_struct_conn.ptnr2_symmetry
_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
_struct_conn.pdbx_value_order
_struct_conn.pdbx_role
covale1 covale both ? A GLC . O2 ? ? ? 1_555 A GAL . C1 ? ? ? GLC 1 ? GAL 2 1_555 ? ? ? ? ? ? ? 1.429 sing ?
covale2 covale both ? A GLC . O3 ? ? ? 1_555 A GAL . C1 ? ? ? GLC 1 ? GAL 3 1_555 ? ? ? ? ? ? ? 1.443 sing ?
#
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 GLC
_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 1.44
#
_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 GLC
_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 GLC
_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 GLC 1 . GLC 1 ? GLC 2 n
A 1 GAL 2 . GAL 2 ? GAL 3 n
A 1 GAL 3 . GAL 3 ? GAL 4 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
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
GLC "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGlcpa
GLC "COMMON NAME" GMML 1.0 a-D-glucopyranose
GLC "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Glcp
GLC "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Glc
#
_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 "DGalpb1-2[DGalpb1-3]DGlcpa1-ROH"
_pdbx_entity_branch_descriptor.type "Glycam Condensed Sequence"
_pdbx_entity_branch_descriptor.program GMML
_pdbx_entity_branch_descriptor.program_version 1.0
#
loop_
_pdbx_entity_branch_link.link_id
_pdbx_entity_branch_link.entity_id
_pdbx_entity_branch_link.entity_branch_list_num_1
_pdbx_entity_branch_link.comp_id_1
_pdbx_entity_branch_link.atom_id_1
_pdbx_entity_branch_link.leaving_atom_id_1
_pdbx_entity_branch_link.entity_branch_list_num_2
_pdbx_entity_branch_link.comp_id_2
_pdbx_entity_branch_link.atom_id_2
_pdbx_entity_branch_link.leaving_atom_id_2
_pdbx_entity_branch_link.value_order
_pdbx_entity_branch_link.details
1 1 2 GAL C1 O1 1 GLC O2 HO2 sing ?
2 1 3 GAL C1 O1 1 GLC O3 HO3 sing ?
#
loop_
_pdbx_entity_branch_list.entity_id
_pdbx_entity_branch_list.comp_id
_pdbx_entity_branch_list.num
_pdbx_entity_branch_list.hetero
1 GLC 1 n
1 GAL 2 n
1 GAL 3 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 . GLC A 1 . ? 17.480 9.910 9.520 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 18.590 10.610 8.700 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 18.010 11.880 8.130 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 16.840 11.560 7.180 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 15.720 10.890 8.010 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 14.510 10.430 7.150 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 19.640 11.110 9.650 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 18.950 12.770 7.430 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 16.320 12.750 6.570 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 16.240 9.710 8.700 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 13.400 10.350 8.110 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 17.800 8.950 9.930 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 19.060 9.940 7.970 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 17.550 12.490 8.900 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 17.250 10.920 6.400 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 15.330 11.580 8.760 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 14.690 9.430 6.740 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 14.260 11.190 6.420 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H6O . GLC A 1 . ? 13.650 9.950 8.940 1.00 0.00 ? 1 GLC ? H6O 1
HETATM 20 H H4O . GLC A 1 . ? 16.090 13.300 7.310 1.00 0.00 ? 1 GLC ? H4O 1
HETATM 21 C C1 . GAL A 1 . ? 20.930 10.520 9.480 1.00 0.00 ? 2 GAL ? C1 1
HETATM 22 C C2 . GAL A 1 . ? 21.930 11.150 10.550 1.00 0.00 ? 2 GAL ? C2 1
HETATM 23 C C3 . GAL A 1 . ? 23.240 10.340 10.760 1.00 0.00 ? 2 GAL ? C3 1
HETATM 24 C C4 . GAL A 1 . ? 22.940 8.830 10.910 1.00 0.00 ? 2 GAL ? C4 1
HETATM 25 C C5 . GAL A 1 . ? 22.020 8.320 9.830 1.00 0.00 ? 2 GAL ? C5 1
HETATM 26 C C6 . GAL A 1 . ? 21.760 6.790 9.920 1.00 0.00 ? 2 GAL ? C6 1
HETATM 27 O O2 . GAL A 1 . ? 22.130 12.500 10.170 1.00 0.00 ? 2 GAL ? O2 1
HETATM 28 O O3 . GAL A 1 . ? 23.830 10.860 11.940 1.00 0.00 ? 2 GAL ? O3 1
HETATM 29 O O4 . GAL A 1 . ? 22.210 8.670 12.120 1.00 0.00 ? 2 GAL ? O4 1
HETATM 30 O O5 . GAL A 1 . ? 20.790 9.040 9.760 1.00 0.00 ? 2 GAL ? O5 1
HETATM 31 O O6 . GAL A 1 . ? 21.300 6.220 8.680 1.00 0.00 ? 2 GAL ? O6 1
HETATM 32 H H1 . GAL A 1 . ? 21.290 10.650 8.460 1.00 0.00 ? 2 GAL ? H1 1
HETATM 33 H H2 . GAL A 1 . ? 21.380 11.050 11.490 1.00 0.00 ? 2 GAL ? H2 1
HETATM 34 H H3 . GAL A 1 . ? 23.860 10.660 9.920 1.00 0.00 ? 2 GAL ? H3 1
HETATM 35 H H4 . GAL A 1 . ? 23.870 8.260 10.970 1.00 0.00 ? 2 GAL ? H4 1
HETATM 36 H H5 . GAL A 1 . ? 22.490 8.450 8.850 1.00 0.00 ? 2 GAL ? H5 1
HETATM 37 H H61 . GAL A 1 . ? 22.600 6.210 10.320 1.00 0.00 ? 2 GAL ? H61 1
HETATM 38 H H62 . GAL A 1 . ? 20.990 6.590 10.660 1.00 0.00 ? 2 GAL ? H62 1
HETATM 39 H H6O . GAL A 1 . ? 21.510 5.290 8.680 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 40 H H4O . GAL A 1 . ? 22.330 7.760 12.390 1.00 0.00 ? 2 GAL ? H4O 1
HETATM 41 H H3O . GAL A 1 . ? 23.600 10.340 12.710 1.00 0.00 ? 2 GAL ? H3O 1
HETATM 42 H H2O . GAL A 1 . ? 22.510 12.960 10.930 1.00 0.00 ? 2 GAL ? H2O 1
HETATM 43 C C1 . GAL A 1 . ? 19.620 13.750 8.250 1.00 0.00 ? 3 GAL ? C1 1
HETATM 44 C C2 . GAL A 1 . ? 20.950 14.060 7.550 1.00 0.00 ? 3 GAL ? C2 1
HETATM 45 C C3 . GAL A 1 . ? 21.830 15.260 8.050 1.00 0.00 ? 3 GAL ? C3 1
HETATM 46 C C4 . GAL A 1 . ? 20.900 16.440 8.350 1.00 0.00 ? 3 GAL ? C4 1
HETATM 47 C C5 . GAL A 1 . ? 19.710 15.990 9.230 1.00 0.00 ? 3 GAL ? C5 1
HETATM 48 C C6 . GAL A 1 . ? 18.780 17.090 9.680 1.00 0.00 ? 3 GAL ? C6 1
HETATM 49 O O2 . GAL A 1 . ? 21.830 12.850 7.550 1.00 0.00 ? 3 GAL ? O2 1
HETATM 50 O O3 . GAL A 1 . ? 22.700 15.850 7.090 1.00 0.00 ? 3 GAL ? O3 1
HETATM 51 O O4 . GAL A 1 . ? 20.390 16.950 7.100 1.00 0.00 ? 3 GAL ? O4 1
HETATM 52 O O5 . GAL A 1 . ? 18.880 15.040 8.370 1.00 0.00 ? 3 GAL ? O5 1
HETATM 53 O O6 . GAL A 1 . ? 17.870 16.560 10.600 1.00 0.00 ? 3 GAL ? O6 1
HETATM 54 H H1 . GAL A 1 . ? 19.780 13.350 9.250 1.00 0.00 ? 3 GAL ? H1 1
HETATM 55 H H2 . GAL A 1 . ? 20.710 14.190 6.490 1.00 0.00 ? 3 GAL ? H2 1
HETATM 56 H H3 . GAL A 1 . ? 22.410 14.990 8.930 1.00 0.00 ? 3 GAL ? H3 1
HETATM 57 H H4 . GAL A 1 . ? 21.440 17.190 8.940 1.00 0.00 ? 3 GAL ? H4 1
HETATM 58 H H5 . GAL A 1 . ? 20.070 15.510 10.140 1.00 0.00 ? 3 GAL ? H5 1
HETATM 59 H H61 . GAL A 1 . ? 19.290 17.910 10.200 1.00 0.00 ? 3 GAL ? H61 1
HETATM 60 H H62 . GAL A 1 . ? 18.260 17.520 8.830 1.00 0.00 ? 3 GAL ? H62 1
HETATM 61 H H6O . GAL A 1 . ? 18.140 15.800 11.120 1.00 0.00 ? 3 GAL ? H6O 1
HETATM 62 H H4O . GAL A 1 . ? 21.180 17.140 6.590 1.00 0.00 ? 3 GAL ? H4O 1
HETATM 63 H H3O . GAL A 1 . ? 23.430 16.230 7.570 1.00 0.00 ? 3 GAL ? H3O 1
HETATM 64 H H2O . GAL A 1 . ? 22.120 12.710 8.460 1.00 0.00 ? 3 GAL ? H2O 1
HETATM 65 H HO1 . ROH B 2 . ? 17.910 10.720 11.210 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 66 O O1 . ROH B 2 . ? 17.140 10.760 10.630 1.00 0.00 ? 1 ROH ? O1 1
#