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-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-xylopyranose-(1-2)]alpha-D-mannopyranose" 606.526 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
MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "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 MAN . O3 ? ? ? 1_555 A MAN . C1 ? ? ? MAN 1 ? MAN 2 1_555 ? ? ? ? ? ? ? 1.428 sing ?
covale2 covale both ? A MAN . O2 ? ? ? 1_555 A XYS . C1 ? ? ? MAN 1 ? XYS 4 1_555 ? ? ? ? ? ? ? 1.467 sing ?
covale3 covale both ? A MAN . O2 ? ? ? 1_555 A XYS . C1 ? ? ? MAN 2 ? XYS 3 1_555 ? ? ? ? ? ? ? 1.497 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 MAN
_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
#
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 ? . XYS 3 ? "WRONG HAND" .
2 1 C1 ? . XYS 4 ? "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 MAN
_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 MAN
_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 MAN 1 . MAN 1 ? MAN 2 n
A 1 MAN 2 . MAN 2 ? MAN 4 n
A 1 XYS 3 . XYS 3 ? XYS 5 n
A 1 XYS 4 . XYS 4 ? XYS 3 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
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
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 "DXylpa1-2DManpa1-3[DXylpa1-2]DManpa1-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 MAN O3 HO3 sing ?
2 1 3 XYS C1 O1 2 MAN O2 HO2 sing ?
3 1 4 XYS C1 O1 1 MAN O2 HO2 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 MAN 1 n
1 MAN 2 n
1 XYS 3 n
1 XYS 4 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 . MAN A 1 . ? 30.890 11.860 23.340 1.00 0.00 ? 1 MAN ? C1 1
HETATM 2 C C2 . MAN A 1 . ? 31.070 13.390 23.300 1.00 0.00 ? 1 MAN ? C2 1
HETATM 3 C C3 . MAN A 1 . ? 30.050 14.150 24.150 1.00 0.00 ? 1 MAN ? C3 1
HETATM 4 C C4 . MAN A 1 . ? 28.620 13.730 23.820 1.00 0.00 ? 1 MAN ? C4 1
HETATM 5 C C5 . MAN A 1 . ? 28.580 12.230 23.990 1.00 0.00 ? 1 MAN ? C5 1
HETATM 6 C C6 . MAN A 1 . ? 27.120 11.620 23.820 1.00 0.00 ? 1 MAN ? C6 1
HETATM 7 O O2 . MAN A 1 . ? 31.000 13.790 21.870 1.00 0.00 ? 1 MAN ? O2 1
HETATM 8 O O3 . MAN A 1 . ? 30.190 15.620 23.910 1.00 0.00 ? 1 MAN ? O3 1
HETATM 9 O O4 . MAN A 1 . ? 27.720 14.370 24.740 1.00 0.00 ? 1 MAN ? O4 1
HETATM 10 O O5 . MAN A 1 . ? 29.510 11.480 23.170 1.00 0.00 ? 1 MAN ? O5 1
HETATM 11 O O6 . MAN A 1 . ? 27.140 10.170 23.830 1.00 0.00 ? 1 MAN ? O6 1
HETATM 12 H H1 . MAN A 1 . ? 31.470 11.500 22.480 1.00 0.00 ? 1 MAN ? H1 1
HETATM 13 H H2 . MAN A 1 . ? 32.070 13.580 23.680 1.00 0.00 ? 1 MAN ? H2 1
HETATM 14 H H3 . MAN A 1 . ? 30.220 13.850 25.180 1.00 0.00 ? 1 MAN ? H3 1
HETATM 15 H H4 . MAN A 1 . ? 28.400 14.060 22.810 1.00 0.00 ? 1 MAN ? H4 1
HETATM 16 H H5 . MAN A 1 . ? 28.770 11.920 25.020 1.00 0.00 ? 1 MAN ? H5 1
HETATM 17 H H61 . MAN A 1 . ? 26.790 12.240 22.980 1.00 0.00 ? 1 MAN ? H61 1
HETATM 18 H H62 . MAN A 1 . ? 26.630 11.940 24.740 1.00 0.00 ? 1 MAN ? H62 1
HETATM 19 H H6O . MAN A 1 . ? 27.800 9.820 23.220 1.00 0.00 ? 1 MAN ? H6O 1
HETATM 20 H H4O . MAN A 1 . ? 27.680 15.280 24.440 1.00 0.00 ? 1 MAN ? H4O 1
HETATM 21 C C1 . MAN A 1 . ? 30.570 16.460 25.000 1.00 0.00 ? 2 MAN ? C1 1
HETATM 22 C C2 . MAN A 1 . ? 30.230 17.890 24.600 1.00 0.00 ? 2 MAN ? C2 1
HETATM 23 C C3 . MAN A 1 . ? 30.970 18.380 23.340 1.00 0.00 ? 2 MAN ? C3 1
HETATM 24 C C4 . MAN A 1 . ? 32.480 18.110 23.610 1.00 0.00 ? 2 MAN ? C4 1
HETATM 25 C C5 . MAN A 1 . ? 32.930 16.730 24.120 1.00 0.00 ? 2 MAN ? C5 1
HETATM 26 C C6 . MAN A 1 . ? 34.330 16.740 24.710 1.00 0.00 ? 2 MAN ? C6 1
HETATM 27 O O2 . MAN A 1 . ? 30.600 18.920 25.680 1.00 0.00 ? 2 MAN ? O2 1
HETATM 28 O O3 . MAN A 1 . ? 30.770 19.780 23.150 1.00 0.00 ? 2 MAN ? O3 1
HETATM 29 O O4 . MAN A 1 . ? 33.150 18.380 22.430 1.00 0.00 ? 2 MAN ? O4 1
HETATM 30 O O5 . MAN A 1 . ? 32.030 16.300 25.260 1.00 0.00 ? 2 MAN ? O5 1
HETATM 31 O O6 . MAN A 1 . ? 35.040 15.540 24.340 1.00 0.00 ? 2 MAN ? O6 1
HETATM 32 H H1 . MAN A 1 . ? 29.960 16.200 25.870 1.00 0.00 ? 2 MAN ? H1 1
HETATM 33 H H2 . MAN A 1 . ? 29.160 17.970 24.410 1.00 0.00 ? 2 MAN ? H2 1
HETATM 34 H H3 . MAN A 1 . ? 30.630 17.950 22.390 1.00 0.00 ? 2 MAN ? H3 1
HETATM 35 H H4 . MAN A 1 . ? 32.850 18.820 24.350 1.00 0.00 ? 2 MAN ? H4 1
HETATM 36 H H5 . MAN A 1 . ? 32.860 16.020 23.310 1.00 0.00 ? 2 MAN ? H5 1
HETATM 37 H H61 . MAN A 1 . ? 34.200 16.700 25.790 1.00 0.00 ? 2 MAN ? H61 1
HETATM 38 H H62 . MAN A 1 . ? 34.900 17.620 24.410 1.00 0.00 ? 2 MAN ? H62 1
HETATM 39 H H6O . MAN A 1 . ? 35.870 15.810 23.940 1.00 0.00 ? 2 MAN ? H6O 1
HETATM 40 H H4O . MAN A 1 . ? 33.160 19.330 22.260 1.00 0.00 ? 2 MAN ? H4O 1
HETATM 41 H H3O . MAN A 1 . ? 30.110 19.870 22.460 1.00 0.00 ? 2 MAN ? H3O 1
HETATM 42 C C1 . XYS A 1 . ? 29.570 19.040 26.760 1.00 0.00 ? 3 XYS ? C1 1
HETATM 43 C C2 . XYS A 1 . ? 30.110 20.040 27.870 1.00 0.00 ? 3 XYS ? C2 1
HETATM 44 C C3 . XYS A 1 . ? 29.030 20.430 28.910 1.00 0.00 ? 3 XYS ? C3 1
HETATM 45 C C4 . XYS A 1 . ? 27.750 20.970 28.260 1.00 0.00 ? 3 XYS ? C4 1
HETATM 46 C C5 . XYS A 1 . ? 27.220 19.960 27.220 1.00 0.00 ? 3 XYS ? C5 1
HETATM 47 O O2 . XYS A 1 . ? 31.270 19.430 28.470 1.00 0.00 ? 3 XYS ? O2 1
HETATM 48 O O3 . XYS A 1 . ? 29.570 21.470 29.760 1.00 0.00 ? 3 XYS ? O3 1
HETATM 49 O O4 . XYS A 1 . ? 26.760 21.220 29.300 1.00 0.00 ? 3 XYS ? O4 1
HETATM 50 O O5 . XYS A 1 . ? 28.280 19.550 26.210 1.00 0.00 ? 3 XYS ? O5 1
HETATM 51 H H1 . XYS A 1 . ? 29.410 18.090 27.260 1.00 0.00 ? 3 XYS ? H1 1
HETATM 52 H H2 . XYS A 1 . ? 30.450 20.950 27.380 1.00 0.00 ? 3 XYS ? H2 1
HETATM 53 H H3 . XYS A 1 . ? 28.800 19.610 29.590 1.00 0.00 ? 3 XYS ? H3 1
HETATM 54 H H4 . XYS A 1 . ? 27.910 21.860 27.660 1.00 0.00 ? 3 XYS ? H4 1
HETATM 55 H H5E . XYS A 1 . ? 26.390 20.420 26.690 1.00 0.00 ? 3 XYS ? H5E 1
HETATM 56 H H5A . XYS A 1 . ? 26.910 19.100 27.820 1.00 0.00 ? 3 XYS ? H5A 1
HETATM 57 H H4O . XYS A 1 . ? 26.700 22.180 29.380 1.00 0.00 ? 3 XYS ? H4O 1
HETATM 58 H H3O . XYS A 1 . ? 30.380 21.070 30.080 1.00 0.00 ? 3 XYS ? H3O 1
HETATM 59 H H2O . XYS A 1 . ? 31.910 19.300 27.760 1.00 0.00 ? 3 XYS ? H2O 1
HETATM 60 C C1 . XYS A 1 . ? 32.240 13.480 21.150 1.00 0.00 ? 4 XYS ? C1 1
HETATM 61 C C2 . XYS A 1 . ? 32.080 13.010 19.690 1.00 0.00 ? 4 XYS ? C2 1
HETATM 62 C C3 . XYS A 1 . ? 33.350 12.990 18.850 1.00 0.00 ? 4 XYS ? C3 1
HETATM 63 C C4 . XYS A 1 . ? 33.930 14.390 19.020 1.00 0.00 ? 4 XYS ? C4 1
HETATM 64 C C5 . XYS A 1 . ? 34.340 14.650 20.470 1.00 0.00 ? 4 XYS ? C5 1
HETATM 65 O O2 . XYS A 1 . ? 31.640 11.640 19.770 1.00 0.00 ? 4 XYS ? O2 1
HETATM 66 O O3 . XYS A 1 . ? 32.870 12.850 17.430 1.00 0.00 ? 4 XYS ? O3 1
HETATM 67 O O4 . XYS A 1 . ? 35.090 14.420 18.100 1.00 0.00 ? 4 XYS ? O4 1
HETATM 68 O O5 . XYS A 1 . ? 33.090 14.640 21.310 1.00 0.00 ? 4 XYS ? O5 1
HETATM 69 H H1 . XYS A 1 . ? 32.790 12.660 21.620 1.00 0.00 ? 4 XYS ? H1 1
HETATM 70 H H2 . XYS A 1 . ? 31.240 13.530 19.220 1.00 0.00 ? 4 XYS ? H2 1
HETATM 71 H H3 . XYS A 1 . ? 34.000 12.170 19.130 1.00 0.00 ? 4 XYS ? H3 1
HETATM 72 H H4 . XYS A 1 . ? 33.150 15.050 18.620 1.00 0.00 ? 4 XYS ? H4 1
HETATM 73 H H5E . XYS A 1 . ? 34.810 15.630 20.540 1.00 0.00 ? 4 XYS ? H5E 1
HETATM 74 H H5A . XYS A 1 . ? 34.970 13.800 20.710 1.00 0.00 ? 4 XYS ? H5A 1
HETATM 75 H H4O . XYS A 1 . ? 34.690 14.700 17.280 1.00 0.00 ? 4 XYS ? H4O 1
HETATM 76 H H3O . XYS A 1 . ? 33.680 12.570 17.010 1.00 0.00 ? 4 XYS ? H3O 1
HETATM 77 H H2O . XYS A 1 . ? 30.690 11.660 19.590 1.00 0.00 ? 4 XYS ? H2O 1
HETATM 78 H HO1 . ROH B 2 . ? 32.390 11.310 24.300 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 79 O O1 . ROH B 2 . ? 31.450 11.240 24.500 1.00 0.00 ? 1 ROH ? O1 1
#