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-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-beta-D-galactopyranose" 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
MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "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 GAL . O3 ? ? ? 1_555 A MAN . C1 ? ? ? GAL 1 ? MAN 2 1_555 ? ? ? ? ? ? ? 1.442 sing ?
covale2 covale both ? A MAN . O6 ? ? ? 1_555 A GLC . C1 ? ? ? MAN 2 ? GLC 3 1_555 ? ? ? ? ? ? ? 1.447 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 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 1.51
#
loop_
_pdbx_validate_chiral.id
_pdbx_validate_chiral.PDB_model_num
_pdbx_validate_chiral.auth_atom_id
_pdbx_validate_chiral.label_alt_id
_pdbx_validate_chiral.auth_asym_id
_pdbx_validate_chiral.auth_comp_id
_pdbx_validate_chiral.auth_seq_id
_pdbx_validate_chiral.PDB_ins_code
_pdbx_validate_chiral.details
_pdbx_validate_chiral.omega
1 1 C1 ? . MAN 2 ? "WRONG HAND" .
2 1 C1 ? . GLC 3 ? "WRONG HAND" .
#
_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 MAN 2 . MAN 2 ? MAN 3 n
A 1 GLC 3 . GLC 3 ? GLC 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
MAN "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DManpa
MAN "COMMON NAME" GMML 1.0 a-D-mannopyranose
MAN "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Manp
MAN "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Man
#
_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 DGlcpa1-6DManpa1-3DGalpb1-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 MAN C1 O1 1 GAL O3 HO3 sing ?
2 1 3 GLC C1 O1 2 MAN O6 HO6 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 GAL 1 n
1 MAN 2 n
1 GLC 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 . GAL A 1 . ? 8.140 14.160 14.510 1.00 0.00 ? 1 GAL ? C1 1
HETATM 2 C C2 . GAL A 1 . ? 8.620 14.140 13.050 1.00 0.00 ? 1 GAL ? C2 1
HETATM 3 C C3 . GAL A 1 . ? 9.740 15.140 12.790 1.00 0.00 ? 1 GAL ? C3 1
HETATM 4 C C4 . GAL A 1 . ? 9.420 16.470 13.410 1.00 0.00 ? 1 GAL ? C4 1
HETATM 5 C C5 . GAL A 1 . ? 9.050 16.350 14.920 1.00 0.00 ? 1 GAL ? C5 1
HETATM 6 C C6 . GAL A 1 . ? 8.790 17.660 15.610 1.00 0.00 ? 1 GAL ? C6 1
HETATM 7 O O2 . GAL A 1 . ? 9.140 12.830 12.740 1.00 0.00 ? 1 GAL ? O2 1
HETATM 8 O O3 . GAL A 1 . ? 9.790 15.440 11.350 1.00 0.00 ? 1 GAL ? O3 1
HETATM 9 O O4 . GAL A 1 . ? 8.410 17.210 12.700 1.00 0.00 ? 1 GAL ? O4 1
HETATM 10 O O5 . GAL A 1 . ? 7.910 15.450 15.040 1.00 0.00 ? 1 GAL ? O5 1
HETATM 11 O O6 . GAL A 1 . ? 8.580 17.420 17.070 1.00 0.00 ? 1 GAL ? O6 1
HETATM 12 H H1 . GAL A 1 . ? 8.930 13.660 15.070 1.00 0.00 ? 1 GAL ? H1 1
HETATM 13 H H2 . GAL A 1 . ? 7.830 14.500 12.390 1.00 0.00 ? 1 GAL ? H2 1
HETATM 14 H H3 . GAL A 1 . ? 10.700 14.780 13.160 1.00 0.00 ? 1 GAL ? H3 1
HETATM 15 H H4 . GAL A 1 . ? 10.300 17.110 13.500 1.00 0.00 ? 1 GAL ? H4 1
HETATM 16 H H5 . GAL A 1 . ? 9.900 15.810 15.350 1.00 0.00 ? 1 GAL ? H5 1
HETATM 17 H H61 . GAL A 1 . ? 9.540 18.440 15.490 1.00 0.00 ? 1 GAL ? H61 1
HETATM 18 H H62 . GAL A 1 . ? 7.870 18.070 15.190 1.00 0.00 ? 1 GAL ? H62 1
HETATM 19 H H6O . GAL A 1 . ? 9.050 18.020 17.650 1.00 0.00 ? 1 GAL ? H6O 1
HETATM 20 H H4O . GAL A 1 . ? 8.830 17.770 12.040 1.00 0.00 ? 1 GAL ? H4O 1
HETATM 21 H H2O . GAL A 1 . ? 8.600 12.480 12.030 1.00 0.00 ? 1 GAL ? H2O 1
HETATM 22 C C1 . MAN A 1 . ? 11.080 15.300 10.720 1.00 0.00 ? 2 MAN ? C1 1
HETATM 23 C C2 . MAN A 1 . ? 11.000 15.330 9.180 1.00 0.00 ? 2 MAN ? C2 1
HETATM 24 C C3 . MAN A 1 . ? 12.300 15.250 8.470 1.00 0.00 ? 2 MAN ? C3 1
HETATM 25 C C4 . MAN A 1 . ? 13.140 16.500 8.890 1.00 0.00 ? 2 MAN ? C4 1
HETATM 26 C C5 . MAN A 1 . ? 13.240 16.570 10.440 1.00 0.00 ? 2 MAN ? C5 1
HETATM 27 C C6 . MAN A 1 . ? 13.930 17.880 10.990 1.00 0.00 ? 2 MAN ? C6 1
HETATM 28 O O2 . MAN A 1 . ? 10.260 16.500 8.680 1.00 0.00 ? 2 MAN ? O2 1
HETATM 29 O O3 . MAN A 1 . ? 12.030 15.200 7.060 1.00 0.00 ? 2 MAN ? O3 1
HETATM 30 O O4 . MAN A 1 . ? 14.510 16.310 8.400 1.00 0.00 ? 2 MAN ? O4 1
HETATM 31 O O5 . MAN A 1 . ? 11.880 16.460 11.100 1.00 0.00 ? 2 MAN ? O5 1
HETATM 32 O O6 . MAN A 1 . ? 12.940 18.840 11.390 1.00 0.00 ? 2 MAN ? O6 1
HETATM 33 H H1 . MAN A 1 . ? 11.580 14.400 11.080 1.00 0.00 ? 2 MAN ? H1 1
HETATM 34 H H2 . MAN A 1 . ? 10.440 14.410 9.010 1.00 0.00 ? 2 MAN ? H2 1
HETATM 35 H H3 . MAN A 1 . ? 12.810 14.330 8.760 1.00 0.00 ? 2 MAN ? H3 1
HETATM 36 H H4 . MAN A 1 . ? 12.730 17.420 8.490 1.00 0.00 ? 2 MAN ? H4 1
HETATM 37 H H5 . MAN A 1 . ? 13.870 15.770 10.830 1.00 0.00 ? 2 MAN ? H5 1
HETATM 38 H H61 . MAN A 1 . ? 14.450 17.660 11.920 1.00 0.00 ? 2 MAN ? H61 1
HETATM 39 H H62 . MAN A 1 . ? 14.470 18.400 10.200 1.00 0.00 ? 2 MAN ? H62 1
HETATM 40 H H4O . MAN A 1 . ? 14.480 15.960 7.510 1.00 0.00 ? 2 MAN ? H4O 1
HETATM 41 H H3O . MAN A 1 . ? 12.310 14.340 6.730 1.00 0.00 ? 2 MAN ? H3O 1
HETATM 42 H H2O . MAN A 1 . ? 10.400 16.580 7.740 1.00 0.00 ? 2 MAN ? H2O 1
HETATM 43 C C1 . GLC A 1 . ? 13.500 19.950 12.130 1.00 0.00 ? 3 GLC ? C1 1
HETATM 44 C C2 . GLC A 1 . ? 12.500 21.210 11.850 1.00 0.00 ? 3 GLC ? C2 1
HETATM 45 C C3 . GLC A 1 . ? 12.920 22.370 12.700 1.00 0.00 ? 3 GLC ? C3 1
HETATM 46 C C4 . GLC A 1 . ? 12.630 22.000 14.230 1.00 0.00 ? 3 GLC ? C4 1
HETATM 47 C C5 . GLC A 1 . ? 13.510 20.780 14.560 1.00 0.00 ? 3 GLC ? C5 1
HETATM 48 C C6 . GLC A 1 . ? 13.210 20.080 15.890 1.00 0.00 ? 3 GLC ? C6 1
HETATM 49 O O2 . GLC A 1 . ? 12.720 21.590 10.490 1.00 0.00 ? 3 GLC ? O2 1
HETATM 50 O O3 . GLC A 1 . ? 12.100 23.490 12.350 1.00 0.00 ? 3 GLC ? O3 1
HETATM 51 O O4 . GLC A 1 . ? 13.060 23.090 14.980 1.00 0.00 ? 3 GLC ? O4 1
HETATM 52 O O5 . GLC A 1 . ? 13.380 19.690 13.570 1.00 0.00 ? 3 GLC ? O5 1
HETATM 53 O O6 . GLC A 1 . ? 11.900 19.490 15.770 1.00 0.00 ? 3 GLC ? O6 1
HETATM 54 H H1 . GLC A 1 . ? 14.530 20.170 11.870 1.00 0.00 ? 3 GLC ? H1 1
HETATM 55 H H2 . GLC A 1 . ? 11.460 20.960 12.020 1.00 0.00 ? 3 GLC ? H2 1
HETATM 56 H H3 . GLC A 1 . ? 13.950 22.640 12.470 1.00 0.00 ? 3 GLC ? H3 1
HETATM 57 H H4 . GLC A 1 . ? 11.570 21.830 14.410 1.00 0.00 ? 3 GLC ? H4 1
HETATM 58 H H5 . GLC A 1 . ? 14.560 21.060 14.560 1.00 0.00 ? 3 GLC ? H5 1
HETATM 59 H H61 . GLC A 1 . ? 13.950 19.320 16.130 1.00 0.00 ? 3 GLC ? H61 1
HETATM 60 H H62 . GLC A 1 . ? 13.230 20.880 16.630 1.00 0.00 ? 3 GLC ? H62 1
HETATM 61 H H6O . GLC A 1 . ? 11.270 20.190 15.610 1.00 0.00 ? 3 GLC ? H6O 1
HETATM 62 H H4O . GLC A 1 . ? 12.230 23.560 15.160 1.00 0.00 ? 3 GLC ? H4O 1
HETATM 63 H H3O . GLC A 1 . ? 12.100 23.530 11.390 1.00 0.00 ? 3 GLC ? H3O 1
HETATM 64 H H2O . GLC A 1 . ? 12.140 21.060 9.940 1.00 0.00 ? 3 GLC ? H2O 1
HETATM 65 H HO1 . ROH B 2 . ? 6.630 12.960 13.760 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 66 O O1 . ROH B 2 . ? 6.840 13.390 14.590 1.00 0.00 ? 1 ROH ? O1 1
#