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)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-alpha-D-mannopyranose" 545.490 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
BM3 "D-saccharide, alpha linking" . 2-acetamido-2-deoxy-alpha-D-mannopyranose
"N-acetyl-alpha-D-mannosamine; 2-acetamido-2-deoxy-alpha-D-mannose; 2-acetamido-2-deoxy-D-mannose; 2-acetamido-2-deoxy-mannose; 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-MANNOPYRANOSE" "C8 H15 N O6" 221.208
GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "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 BM3 . O4 ? ? ? 1_555 A GAL . C1 ? ? ? BM3 1 ? GAL 2 1_555 ? ? ? ? ? ? ? 1.517 sing ?
covale2 covale both ? A BM3 . O6 ? ? ? 1_555 A GAL . C1 ? ? ? BM3 1 ? GAL 3 1_555 ? ? ? ? ? ? ? 1.436 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 BM3
_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 1.40
#
loop_
_pdbx_unobs_or_zero_occ_atoms.id
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num
_pdbx_unobs_or_zero_occ_atoms.polymer_flag
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id
_pdbx_unobs_or_zero_occ_atoms.label_alt_id
_pdbx_unobs_or_zero_occ_atoms.label_asym_id
_pdbx_unobs_or_zero_occ_atoms.label_comp_id
_pdbx_unobs_or_zero_occ_atoms.label_seq_id
_pdbx_unobs_or_zero_occ_atoms.label_atom_id
1 1 N 1 . BM3 1 ? O1 ? A BM3 1 O1
2 1 N 1 . BM3 1 ? C7 ? A BM3 1 C7
3 1 N 1 . BM3 1 ? O7 ? A BM3 1 O7
4 1 N 1 . BM3 1 ? C8 ? A BM3 1 C8
#
loop_
_atom_type.symbol
C
H
N
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 BM3 1 . BM3 1 ? BM3 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
BM3 "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DManpNAca
BM3 "COMMON NAME" GMML 1.0 N-acetyl-a-D-mannopyranosamine
BM3 "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-ManpNAc
BM3 "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 ManNAc
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 "DGalpb1-4[DGalpb1-6]DManpNAca1-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 BM3 O4 HO4 sing ?
2 1 3 GAL C1 O1 1 BM3 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 BM3 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 . BM3 A 1 . ? 15.140 20.800 14.240 1.00 0.00 ? 1 BM3 ? C1 1
HETATM 2 C C2 . BM3 A 1 . ? 14.270 20.220 13.110 1.00 0.00 ? 1 BM3 ? C2 1
HETATM 3 N N2 . BM3 A 1 . ? 15.010 20.050 11.880 1.00 0.00 ? 1 BM3 ? N2 1
HETATM 4 C C3 . BM3 A 1 . ? 13.620 18.970 13.560 1.00 0.00 ? 1 BM3 ? C3 1
HETATM 5 O O3 . BM3 A 1 . ? 12.870 18.300 12.510 1.00 0.00 ? 1 BM3 ? O3 1
HETATM 6 C C4 . BM3 A 1 . ? 14.620 17.970 14.260 1.00 0.00 ? 1 BM3 ? C4 1
HETATM 7 O O4 . BM3 A 1 . ? 13.710 16.870 14.770 1.00 0.00 ? 1 BM3 ? O4 1
HETATM 8 C C5 . BM3 A 1 . ? 15.240 18.690 15.400 1.00 0.00 ? 1 BM3 ? C5 1
HETATM 9 C C6 . BM3 A 1 . ? 16.270 17.810 16.130 1.00 0.00 ? 1 BM3 ? C6 1
HETATM 10 O O6 . BM3 A 1 . ? 17.340 17.310 15.200 1.00 0.00 ? 1 BM3 ? O6 1
HETATM 11 O O5 . BM3 A 1 . ? 15.990 19.810 14.840 1.00 0.00 ? 1 BM3 ? O5 1
HETATM 12 H H1 . BM3 A 1 . ? 15.840 21.560 13.890 1.00 0.00 ? 1 BM3 ? H1 1
HETATM 13 H H2 . BM3 A 1 . ? 13.550 20.980 12.800 1.00 0.00 ? 1 BM3 ? H2 1
HETATM 14 H H3 . BM3 A 1 . ? 12.910 19.220 14.360 1.00 0.00 ? 1 BM3 ? H3 1
HETATM 15 H H4 . BM3 A 1 . ? 15.440 17.730 13.590 1.00 0.00 ? 1 BM3 ? H4 1
HETATM 16 H H5 . BM3 A 1 . ? 14.560 19.130 16.130 1.00 0.00 ? 1 BM3 ? H5 1
HETATM 17 H H61 . BM3 A 1 . ? 15.640 17.020 16.550 1.00 0.00 ? 1 BM3 ? H61 1
HETATM 18 H H62 . BM3 A 1 . ? 16.800 18.310 16.940 1.00 0.00 ? 1 BM3 ? H62 1
HETATM 19 H H2N . BM3 A 1 . ? 15.930 19.650 12.040 1.00 0.00 ? 1 BM3 ? H2N 1
HETATM 20 C C2N . BM3 A 1 . ? 14.590 20.380 10.620 1.00 0.00 ? 1 BM3 ? C2N 1
HETATM 21 C CME . BM3 A 1 . ? 15.700 20.550 9.520 1.00 0.00 ? 1 BM3 ? CME 1
HETATM 22 H H3M . BM3 A 1 . ? 16.270 19.630 9.420 1.00 0.00 ? 1 BM3 ? H3M 1
HETATM 23 H H2M . BM3 A 1 . ? 16.390 21.310 9.870 1.00 0.00 ? 1 BM3 ? H2M 1
HETATM 24 H H1M . BM3 A 1 . ? 15.280 20.770 8.530 1.00 0.00 ? 1 BM3 ? H1M 1
HETATM 25 O O2N . BM3 A 1 . ? 13.430 20.610 10.390 1.00 0.00 ? 1 BM3 ? O2N 1
HETATM 26 H H3O . BM3 A 1 . ? 13.480 18.140 11.790 1.00 0.00 ? 1 BM3 ? H3O 1
HETATM 27 C C1 . GAL A 1 . ? 14.110 15.420 14.570 1.00 0.00 ? 2 GAL ? C1 1
HETATM 28 C C2 . GAL A 1 . ? 13.050 14.420 15.270 1.00 0.00 ? 2 GAL ? C2 1
HETATM 29 C C3 . GAL A 1 . ? 13.200 13.040 14.750 1.00 0.00 ? 2 GAL ? C3 1
HETATM 30 C C4 . GAL A 1 . ? 13.150 12.960 13.230 1.00 0.00 ? 2 GAL ? C4 1
HETATM 31 C C5 . GAL A 1 . ? 14.180 13.890 12.580 1.00 0.00 ? 2 GAL ? C5 1
HETATM 32 C C6 . GAL A 1 . ? 14.150 13.920 10.990 1.00 0.00 ? 2 GAL ? C6 1
HETATM 33 O O2 . GAL A 1 . ? 13.420 14.400 16.670 1.00 0.00 ? 2 GAL ? O2 1
HETATM 34 O O3 . GAL A 1 . ? 12.300 12.190 15.470 1.00 0.00 ? 2 GAL ? O3 1
HETATM 35 O O4 . GAL A 1 . ? 11.890 13.430 12.780 1.00 0.00 ? 2 GAL ? O4 1
HETATM 36 O O5 . GAL A 1 . ? 14.090 15.250 13.090 1.00 0.00 ? 2 GAL ? O5 1
HETATM 37 O O6 . GAL A 1 . ? 15.310 14.690 10.520 1.00 0.00 ? 2 GAL ? O6 1
HETATM 38 H H1 . GAL A 1 . ? 15.140 15.320 14.910 1.00 0.00 ? 2 GAL ? H1 1
HETATM 39 H H2 . GAL A 1 . ? 12.030 14.780 15.200 1.00 0.00 ? 2 GAL ? H2 1
HETATM 40 H H3 . GAL A 1 . ? 14.210 12.740 15.030 1.00 0.00 ? 2 GAL ? H3 1
HETATM 41 H H4 . GAL A 1 . ? 13.230 11.970 12.790 1.00 0.00 ? 2 GAL ? H4 1
HETATM 42 H H5 . GAL A 1 . ? 15.120 13.410 12.870 1.00 0.00 ? 2 GAL ? H5 1
HETATM 43 H H61 . GAL A 1 . ? 14.070 12.920 10.580 1.00 0.00 ? 2 GAL ? H61 1
HETATM 44 H H62 . GAL A 1 . ? 13.230 14.400 10.660 1.00 0.00 ? 2 GAL ? H62 1
HETATM 45 H H6O . GAL A 1 . ? 15.490 14.400 9.630 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 46 H H4O . GAL A 1 . ? 11.890 14.380 12.950 1.00 0.00 ? 2 GAL ? H4O 1
HETATM 47 H H3O . GAL A 1 . ? 12.630 11.950 16.340 1.00 0.00 ? 2 GAL ? H3O 1
HETATM 48 H H2O . GAL A 1 . ? 13.280 15.280 17.050 1.00 0.00 ? 2 GAL ? H2O 1
HETATM 49 C C1 . GAL A 1 . ? 18.220 16.380 15.850 1.00 0.00 ? 3 GAL ? C1 1
HETATM 50 C C2 . GAL A 1 . ? 18.970 15.440 14.910 1.00 0.00 ? 3 GAL ? C2 1
HETATM 51 C C3 . GAL A 1 . ? 19.830 14.490 15.710 1.00 0.00 ? 3 GAL ? C3 1
HETATM 52 C C4 . GAL A 1 . ? 20.850 15.260 16.590 1.00 0.00 ? 3 GAL ? C4 1
HETATM 53 C C5 . GAL A 1 . ? 20.200 16.410 17.470 1.00 0.00 ? 3 GAL ? C5 1
HETATM 54 C C6 . GAL A 1 . ? 21.210 17.300 18.160 1.00 0.00 ? 3 GAL ? C6 1
HETATM 55 O O2 . GAL A 1 . ? 18.030 14.660 14.160 1.00 0.00 ? 3 GAL ? O2 1
HETATM 56 O O3 . GAL A 1 . ? 20.580 13.620 14.800 1.00 0.00 ? 3 GAL ? O3 1
HETATM 57 O O4 . GAL A 1 . ? 21.760 15.860 15.730 1.00 0.00 ? 3 GAL ? O4 1
HETATM 58 O O5 . GAL A 1 . ? 19.270 17.140 16.580 1.00 0.00 ? 3 GAL ? O5 1
HETATM 59 O O6 . GAL A 1 . ? 20.510 18.120 19.060 1.00 0.00 ? 3 GAL ? O6 1
HETATM 60 H H1 . GAL A 1 . ? 17.760 15.730 16.600 1.00 0.00 ? 3 GAL ? H1 1
HETATM 61 H H2 . GAL A 1 . ? 19.640 15.960 14.230 1.00 0.00 ? 3 GAL ? H2 1
HETATM 62 H H3 . GAL A 1 . ? 19.120 13.920 16.300 1.00 0.00 ? 3 GAL ? H3 1
HETATM 63 H H4 . GAL A 1 . ? 21.360 14.530 17.220 1.00 0.00 ? 3 GAL ? H4 1
HETATM 64 H H5 . GAL A 1 . ? 19.670 15.990 18.320 1.00 0.00 ? 3 GAL ? H5 1
HETATM 65 H H61 . GAL A 1 . ? 21.910 16.620 18.660 1.00 0.00 ? 3 GAL ? H61 1
HETATM 66 H H62 . GAL A 1 . ? 21.800 17.940 17.500 1.00 0.00 ? 3 GAL ? H62 1
HETATM 67 H H6O . GAL A 1 . ? 21.150 18.560 19.620 1.00 0.00 ? 3 GAL ? H6O 1
HETATM 68 H H4O . GAL A 1 . ? 22.130 15.150 15.200 1.00 0.00 ? 3 GAL ? H4O 1
HETATM 69 H H3O . GAL A 1 . ? 20.130 13.730 13.960 1.00 0.00 ? 3 GAL ? H3O 1
HETATM 70 H H2O . GAL A 1 . ? 17.910 15.140 13.340 1.00 0.00 ? 3 GAL ? H2O 1
HETATM 71 H HO1 . ROH B 2 . ? 14.870 22.150 15.610 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 72 O O1 . ROH B 2 . ? 14.350 21.470 15.180 1.00 0.00 ? 1 ROH ? O1 1
#