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-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-alpha-D-glucopyranose" 444.386 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
GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156
ROH non-polymer . "UNKNOWN LIGAND" ? ? ?
XYS "D-saccharide, alpha linking" . alpha-D-xylopyranose "alpha-D-xylose; D-xylose; xylose; XYLOPYRANOSE" "C5 H10 O5" 150.130
#
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 . O3 ? ? ? 1_555 A XYS . C1 ? ? ? GLC 1 ? XYS 2 1_555 ? ? ? ? ? ? ? 1.452 sing ?
covale2 covale both ? A XYS . O3 ? ? ? 1_555 A XYS . C1 ? ? ? XYS 2 ? XYS 3 1_555 ? ? ? ? ? ? ? 1.518 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 1.43
#
_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 XYS 2 . XYS 2 ? XYS 3 n
A 1 XYS 3 . XYS 3 ? XYS 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
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
XYS "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DXylpa
XYS "COMMON NAME" GMML 1.0 a-D-xylopyranose
XYS "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Xylp
XYS "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Xyl
#
_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 DXylpa1-3DXylpa1-3DGlcpa1-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 XYS C1 O1 1 GLC O3 HO3 sing ?
2 1 3 XYS C1 O1 2 XYS 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 XYS 2 n
1 XYS 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 . ? 15.680 15.970 25.690 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 15.750 16.680 24.340 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 16.620 17.950 24.320 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 16.130 18.900 25.370 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 16.140 18.220 26.760 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 15.650 18.950 28.030 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 16.110 15.790 23.300 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 16.520 18.700 23.020 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 16.940 20.140 25.520 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 15.330 16.970 26.700 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 16.530 18.660 29.160 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 14.860 15.260 25.740 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 14.700 16.990 24.260 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 17.630 17.550 24.400 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 15.100 19.080 25.070 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 17.140 17.880 27.020 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 14.630 18.680 28.300 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 15.530 20.010 27.850 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H2O . GLC A 1 . ? 16.480 16.360 22.620 1.00 0.00 ? 1 GLC ? H2O 1
HETATM 20 H H6O . GLC A 1 . ? 15.930 18.590 29.900 1.00 0.00 ? 1 GLC ? H6O 1
HETATM 21 H H4O . GLC A 1 . ? 16.810 20.690 24.740 1.00 0.00 ? 1 GLC ? H4O 1
HETATM 22 C C1 . XYS A 1 . ? 17.380 18.330 21.910 1.00 0.00 ? 2 XYS ? C1 1
HETATM 23 C C2 . XYS A 1 . ? 17.570 19.500 20.920 1.00 0.00 ? 2 XYS ? C2 1
HETATM 24 C C3 . XYS A 1 . ? 16.290 19.880 20.170 1.00 0.00 ? 2 XYS ? C3 1
HETATM 25 C C4 . XYS A 1 . ? 15.650 18.650 19.490 1.00 0.00 ? 2 XYS ? C4 1
HETATM 26 C C5 . XYS A 1 . ? 15.510 17.450 20.350 1.00 0.00 ? 2 XYS ? C5 1
HETATM 27 O O2 . XYS A 1 . ? 18.070 20.590 21.750 1.00 0.00 ? 2 XYS ? O2 1
HETATM 28 O O3 . XYS A 1 . ? 16.710 20.780 19.040 1.00 0.00 ? 2 XYS ? O3 1
HETATM 29 O O4 . XYS A 1 . ? 14.300 19.000 18.980 1.00 0.00 ? 2 XYS ? O4 1
HETATM 30 O O5 . XYS A 1 . ? 16.720 17.270 21.150 1.00 0.00 ? 2 XYS ? O5 1
HETATM 31 H H1 . XYS A 1 . ? 18.350 17.930 22.200 1.00 0.00 ? 2 XYS ? H1 1
HETATM 32 H H2 . XYS A 1 . ? 18.350 19.260 20.200 1.00 0.00 ? 2 XYS ? H2 1
HETATM 33 H H3 . XYS A 1 . ? 15.550 20.270 20.870 1.00 0.00 ? 2 XYS ? H3 1
HETATM 34 H H4 . XYS A 1 . ? 16.280 18.270 18.690 1.00 0.00 ? 2 XYS ? H4 1
HETATM 35 H H2O . XYS A 1 . ? 18.770 20.340 22.360 1.00 0.00 ? 2 XYS ? H2O 1
HETATM 36 H H5E . XYS A 1 . ? 15.220 16.630 19.690 1.00 0.00 ? 2 XYS ? H5E 1
HETATM 37 H H5A . XYS A 1 . ? 14.770 17.650 21.130 1.00 0.00 ? 2 XYS ? H5A 1
HETATM 38 H H4O . XYS A 1 . ? 14.380 19.860 18.560 1.00 0.00 ? 2 XYS ? H4O 1
HETATM 39 C C1 . XYS A 1 . ? 16.200 22.210 19.040 1.00 0.00 ? 3 XYS ? C1 1
HETATM 40 C C2 . XYS A 1 . ? 15.610 22.320 17.600 1.00 0.00 ? 3 XYS ? C2 1
HETATM 41 C C3 . XYS A 1 . ? 16.750 22.190 16.570 1.00 0.00 ? 3 XYS ? C3 1
HETATM 42 C C4 . XYS A 1 . ? 17.780 23.310 16.870 1.00 0.00 ? 3 XYS ? C4 1
HETATM 43 C C5 . XYS A 1 . ? 18.330 23.170 18.300 1.00 0.00 ? 3 XYS ? C5 1
HETATM 44 O O2 . XYS A 1 . ? 14.670 21.290 17.360 1.00 0.00 ? 3 XYS ? O2 1
HETATM 45 O O3 . XYS A 1 . ? 16.230 22.570 15.230 1.00 0.00 ? 3 XYS ? O3 1
HETATM 46 O O4 . XYS A 1 . ? 18.880 23.260 16.020 1.00 0.00 ? 3 XYS ? O4 1
HETATM 47 O O5 . XYS A 1 . ? 17.280 23.200 19.290 1.00 0.00 ? 3 XYS ? O5 1
HETATM 48 H H1 . XYS A 1 . ? 15.390 22.360 19.750 1.00 0.00 ? 3 XYS ? H1 1
HETATM 49 H H2 . XYS A 1 . ? 15.160 23.300 17.430 1.00 0.00 ? 3 XYS ? H2 1
HETATM 50 H H3 . XYS A 1 . ? 17.240 21.220 16.520 1.00 0.00 ? 3 XYS ? H3 1
HETATM 51 H H4 . XYS A 1 . ? 17.280 24.260 16.700 1.00 0.00 ? 3 XYS ? H4 1
HETATM 52 H H5E . XYS A 1 . ? 18.990 24.020 18.470 1.00 0.00 ? 3 XYS ? H5E 1
HETATM 53 H H5A . XYS A 1 . ? 18.910 22.250 18.440 1.00 0.00 ? 3 XYS ? H5A 1
HETATM 54 H H4O . XYS A 1 . ? 19.310 22.410 16.110 1.00 0.00 ? 3 XYS ? H4O 1
HETATM 55 H H3O . XYS A 1 . ? 15.780 23.420 15.250 1.00 0.00 ? 3 XYS ? H3O 1
HETATM 56 H H2O . XYS A 1 . ? 14.110 21.570 16.620 1.00 0.00 ? 3 XYS ? H2O 1
HETATM 57 H HO1 . ROH B 2 . ? 16.840 15.010 27.010 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 58 O O1 . ROH B 2 . ? 16.910 15.370 26.120 1.00 0.00 ? 1 ROH ? O1 1
#