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-(1-4)-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
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 . O4 ? ? ? 1_555 A GAL . C1 ? ? ? GAL 1 ? GAL 2 1_555 ? ? ? ? ? ? ? 1.495 sing ?
covale2 covale both ? A GAL . O4 ? ? ? 1_555 A GAL . C1 ? ? ? GAL 2 ? GAL 3 1_555 ? ? ? ? ? ? ? 1.411 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 1.39
#
_pdbx_validate_chiral.id 1
_pdbx_validate_chiral.PDB_model_num 1
_pdbx_validate_chiral.auth_atom_id C1
_pdbx_validate_chiral.label_alt_id ?
_pdbx_validate_chiral.auth_asym_id .
_pdbx_validate_chiral.auth_comp_id GAL
_pdbx_validate_chiral.auth_seq_id 3
_pdbx_validate_chiral.PDB_ins_code ?
_pdbx_validate_chiral.details "WRONG HAND"
_pdbx_validate_chiral.omega .
#
_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 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
#
_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 DGalpb1-4DGalpb1-4DGalpb1-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 GAL O4 HO4 sing ?
2 1 3 GAL C1 O1 2 GAL O4 HO4 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 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 . GAL A 1 . ? 18.540 9.540 15.960 1.00 0.00 ? 1 GAL ? C1 1
HETATM 2 C C2 . GAL A 1 . ? 17.340 9.470 14.940 1.00 0.00 ? 1 GAL ? C2 1
HETATM 3 C C3 . GAL A 1 . ? 16.200 10.420 15.330 1.00 0.00 ? 1 GAL ? C3 1
HETATM 4 C C4 . GAL A 1 . ? 15.820 10.110 16.790 1.00 0.00 ? 1 GAL ? C4 1
HETATM 5 C C5 . GAL A 1 . ? 16.960 10.210 17.810 1.00 0.00 ? 1 GAL ? C5 1
HETATM 6 C C6 . GAL A 1 . ? 16.510 9.730 19.220 1.00 0.00 ? 1 GAL ? C6 1
HETATM 7 O O2 . GAL A 1 . ? 17.820 9.700 13.540 1.00 0.00 ? 1 GAL ? O2 1
HETATM 8 O O3 . GAL A 1 . ? 15.140 10.190 14.400 1.00 0.00 ? 1 GAL ? O3 1
HETATM 9 O O4 . GAL A 1 . ? 15.210 8.720 16.880 1.00 0.00 ? 1 GAL ? O4 1
HETATM 10 O O5 . GAL A 1 . ? 18.050 9.330 17.320 1.00 0.00 ? 1 GAL ? O5 1
HETATM 11 O O6 . GAL A 1 . ? 17.640 9.870 20.140 1.00 0.00 ? 1 GAL ? O6 1
HETATM 12 H H1 . GAL A 1 . ? 19.370 8.860 15.750 1.00 0.00 ? 1 GAL ? H1 1
HETATM 13 H H2 . GAL A 1 . ? 16.990 8.440 14.870 1.00 0.00 ? 1 GAL ? H2 1
HETATM 14 H H3 . GAL A 1 . ? 16.600 11.430 15.240 1.00 0.00 ? 1 GAL ? H3 1
HETATM 15 H H4 . GAL A 1 . ? 15.180 10.890 17.200 1.00 0.00 ? 1 GAL ? H4 1
HETATM 16 H H5 . GAL A 1 . ? 17.370 11.210 17.910 1.00 0.00 ? 1 GAL ? H5 1
HETATM 17 H H61 . GAL A 1 . ? 16.340 8.660 19.080 1.00 0.00 ? 1 GAL ? H61 1
HETATM 18 H H62 . GAL A 1 . ? 15.660 10.280 19.630 1.00 0.00 ? 1 GAL ? H62 1
HETATM 19 H H2O . GAL A 1 . ? 17.100 9.500 12.940 1.00 0.00 ? 1 GAL ? H2O 1
HETATM 20 H H3O . GAL A 1 . ? 14.400 10.790 14.560 1.00 0.00 ? 1 GAL ? H3O 1
HETATM 21 H H6O . GAL A 1 . ? 18.400 9.590 19.630 1.00 0.00 ? 1 GAL ? H6O 1
HETATM 22 C C1 . GAL A 1 . ? 13.740 8.740 17.150 1.00 0.00 ? 2 GAL ? C1 1
HETATM 23 C C2 . GAL A 1 . ? 13.210 7.270 17.050 1.00 0.00 ? 2 GAL ? C2 1
HETATM 24 C C3 . GAL A 1 . ? 12.050 6.890 17.910 1.00 0.00 ? 2 GAL ? C3 1
HETATM 25 C C4 . GAL A 1 . ? 12.170 7.470 19.370 1.00 0.00 ? 2 GAL ? C4 1
HETATM 26 C C5 . GAL A 1 . ? 12.260 8.980 19.190 1.00 0.00 ? 2 GAL ? C5 1
HETATM 27 C C6 . GAL A 1 . ? 12.050 9.730 20.510 1.00 0.00 ? 2 GAL ? C6 1
HETATM 28 O O2 . GAL A 1 . ? 12.770 7.120 15.680 1.00 0.00 ? 2 GAL ? O2 1
HETATM 29 O O3 . GAL A 1 . ? 11.840 5.440 17.890 1.00 0.00 ? 2 GAL ? O3 1
HETATM 30 O O4 . GAL A 1 . ? 13.340 6.990 20.170 1.00 0.00 ? 2 GAL ? O4 1
HETATM 31 O O5 . GAL A 1 . ? 13.560 9.340 18.500 1.00 0.00 ? 2 GAL ? O5 1
HETATM 32 O O6 . GAL A 1 . ? 11.770 11.090 20.190 1.00 0.00 ? 2 GAL ? O6 1
HETATM 33 H H1 . GAL A 1 . ? 13.180 9.330 16.430 1.00 0.00 ? 2 GAL ? H1 1
HETATM 34 H H2 . GAL A 1 . ? 14.090 6.640 17.170 1.00 0.00 ? 2 GAL ? H2 1
HETATM 35 H H3 . GAL A 1 . ? 11.100 7.200 17.480 1.00 0.00 ? 2 GAL ? H3 1
HETATM 36 H H4 . GAL A 1 . ? 11.220 7.420 19.900 1.00 0.00 ? 2 GAL ? H4 1
HETATM 37 H H5 . GAL A 1 . ? 11.440 9.270 18.540 1.00 0.00 ? 2 GAL ? H5 1
HETATM 38 H H61 . GAL A 1 . ? 11.140 9.370 20.980 1.00 0.00 ? 2 GAL ? H61 1
HETATM 39 H H62 . GAL A 1 . ? 12.890 9.640 21.210 1.00 0.00 ? 2 GAL ? H62 1
HETATM 40 H H6O . GAL A 1 . ? 10.970 11.340 20.670 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 41 H H3O . GAL A 1 . ? 12.580 5.110 18.390 1.00 0.00 ? 2 GAL ? H3O 1
HETATM 42 H H2O . GAL A 1 . ? 12.200 6.360 15.540 1.00 0.00 ? 2 GAL ? H2O 1
HETATM 43 C C1 . GAL A 1 . ? 13.310 5.700 20.740 1.00 0.00 ? 3 GAL ? C1 1
HETATM 44 C C2 . GAL A 1 . ? 14.280 5.750 22.000 1.00 0.00 ? 3 GAL ? C2 1
HETATM 45 C C3 . GAL A 1 . ? 15.780 5.750 21.660 1.00 0.00 ? 3 GAL ? C3 1
HETATM 46 C C4 . GAL A 1 . ? 16.050 4.710 20.510 1.00 0.00 ? 3 GAL ? C4 1
HETATM 47 C C5 . GAL A 1 . ? 15.070 4.710 19.290 1.00 0.00 ? 3 GAL ? C5 1
HETATM 48 C C6 . GAL A 1 . ? 15.390 3.590 18.310 1.00 0.00 ? 3 GAL ? C6 1
HETATM 49 O O2 . GAL A 1 . ? 14.020 6.880 22.890 1.00 0.00 ? 3 GAL ? O2 1
HETATM 50 O O3 . GAL A 1 . ? 16.510 5.380 22.810 1.00 0.00 ? 3 GAL ? O3 1
HETATM 51 O O4 . GAL A 1 . ? 16.090 3.400 21.010 1.00 0.00 ? 3 GAL ? O4 1
HETATM 52 O O5 . GAL A 1 . ? 13.650 4.620 19.770 1.00 0.00 ? 3 GAL ? O5 1
HETATM 53 O O6 . GAL A 1 . ? 14.570 3.720 17.090 1.00 0.00 ? 3 GAL ? O6 1
HETATM 54 H H1 . GAL A 1 . ? 12.290 5.510 21.080 1.00 0.00 ? 3 GAL ? H1 1
HETATM 55 H H2 . GAL A 1 . ? 14.090 4.820 22.540 1.00 0.00 ? 3 GAL ? H2 1
HETATM 56 H H3 . GAL A 1 . ? 16.060 6.740 21.310 1.00 0.00 ? 3 GAL ? H3 1
HETATM 57 H H4 . GAL A 1 . ? 17.010 4.970 20.060 1.00 0.00 ? 3 GAL ? H4 1
HETATM 58 H H5 . GAL A 1 . ? 15.270 5.660 18.790 1.00 0.00 ? 3 GAL ? H5 1
HETATM 59 H H61 . GAL A 1 . ? 15.180 2.610 18.750 1.00 0.00 ? 3 GAL ? H61 1
HETATM 60 H H62 . GAL A 1 . ? 16.430 3.590 17.990 1.00 0.00 ? 3 GAL ? H62 1
HETATM 61 H H6O . GAL A 1 . ? 14.860 4.490 16.590 1.00 0.00 ? 3 GAL ? H6O 1
HETATM 62 H H4O . GAL A 1 . ? 16.290 3.520 21.950 1.00 0.00 ? 3 GAL ? H4O 1
HETATM 63 H H3O . GAL A 1 . ? 16.690 6.200 23.280 1.00 0.00 ? 3 GAL ? H3O 1
HETATM 64 H H2O . GAL A 1 . ? 14.640 7.590 22.700 1.00 0.00 ? 3 GAL ? H2O 1
HETATM 65 H HO1 . ROH B 2 . ? 19.950 10.790 15.740 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 66 O O1 . ROH B 2 . ? 19.000 10.850 15.850 1.00 0.00 ? 1 ROH ? O1 1
#