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-L-rhamnopyranose-(1-3)-alpha-L-rhamnopyranose-(1-2)-alpha-D-glucopyranose" 472.438 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
GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156
RAM "L-saccharide, alpha linking" . alpha-L-rhamnopyranose "alpha-L-rhamnose; 6-deoxy-alpha-L-mannopyranose; L-rhamnose; rhamnose" "C6 H12 O5" 164.156
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 GLC . O2 ? ? ? 1_555 A RAM . C1 ? ? ? GLC 1 ? RAM 2 1_555 ? ? ? ? ? ? ? 1.469 sing ?
covale2 covale both ? A RAM . O3 ? ? ? 1_555 A RAM . C1 ? ? ? RAM 2 ? RAM 3 1_555 ? ? ? ? ? ? ? 1.491 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 1.44
#
_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 RAM 2 . RAM 2 ? RAM 3 n
A 1 RAM 3 . RAM 3 ? RAM 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
RAM "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LRhapa
RAM "COMMON NAME" GMML 1.0 a-L-rhamnopyranose
RAM "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Rhap
RAM "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Rha
#
_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 LRhapa1-3LRhapa1-2DGlcpa1-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 RAM C1 O1 1 GLC O2 HO2 sing ?
2 1 3 RAM C1 O1 2 RAM 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 RAM 2 n
1 RAM 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 . ? 16.970 16.340 13.980 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 18.170 16.280 13.050 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 19.370 15.800 13.900 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 19.620 16.600 15.140 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 18.320 16.740 16.010 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 18.410 17.770 17.200 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 17.890 15.290 11.980 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 20.480 15.990 13.020 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 20.660 15.930 15.870 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 17.250 17.230 15.090 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 17.230 17.700 18.010 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 16.100 16.800 13.520 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 18.390 17.230 12.550 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 19.270 14.720 14.000 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 19.990 17.580 14.850 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 18.000 15.770 16.390 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 18.520 18.790 16.820 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 19.280 17.500 17.800 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H6O . GLC A 1 . ? 16.450 17.850 17.480 1.00 0.00 ? 1 GLC ? H6O 1
HETATM 20 H H4O . GLC A 1 . ? 21.320 15.610 15.250 1.00 0.00 ? 1 GLC ? H4O 1
HETATM 21 H H3O . GLC A 1 . ? 20.500 15.250 12.410 1.00 0.00 ? 1 GLC ? H3O 1
HETATM 22 C C1 . RAM A 1 . ? 16.940 15.850 11.010 1.00 0.00 ? 2 RAM ? C1 1
HETATM 23 C C2 . RAM A 1 . ? 17.190 15.300 9.640 1.00 0.00 ? 2 RAM ? C2 1
HETATM 24 C C3 . RAM A 1 . ? 16.680 13.860 9.550 1.00 0.00 ? 2 RAM ? C3 1
HETATM 25 C C4 . RAM A 1 . ? 15.230 13.670 10.070 1.00 0.00 ? 2 RAM ? C4 1
HETATM 26 C C5 . RAM A 1 . ? 15.100 14.300 11.450 1.00 0.00 ? 2 RAM ? C5 1
HETATM 27 C C6 . RAM A 1 . ? 13.670 14.300 11.940 1.00 0.00 ? 2 RAM ? C6 1
HETATM 28 O O2 . RAM A 1 . ? 16.510 16.200 8.630 1.00 0.00 ? 2 RAM ? O2 1
HETATM 29 O O3 . RAM A 1 . ? 16.680 13.530 8.120 1.00 0.00 ? 2 RAM ? O3 1
HETATM 30 O O4 . RAM A 1 . ? 14.990 12.270 10.060 1.00 0.00 ? 2 RAM ? O4 1
HETATM 31 O O5 . RAM A 1 . ? 15.540 15.650 11.420 1.00 0.00 ? 2 RAM ? O5 1
HETATM 32 H H1 . RAM A 1 . ? 17.100 16.910 10.820 1.00 0.00 ? 2 RAM ? H1 1
HETATM 33 H H2 . RAM A 1 . ? 18.250 15.170 9.410 1.00 0.00 ? 2 RAM ? H2 1
HETATM 34 H H3 . RAM A 1 . ? 17.310 13.150 10.090 1.00 0.00 ? 2 RAM ? H3 1
HETATM 35 H H4 . RAM A 1 . ? 14.550 14.200 9.400 1.00 0.00 ? 2 RAM ? H4 1
HETATM 36 H H5 . RAM A 1 . ? 15.590 13.570 12.080 1.00 0.00 ? 2 RAM ? H5 1
HETATM 37 H H61 . RAM A 1 . ? 13.620 14.600 12.980 1.00 0.00 ? 2 RAM ? H61 1
HETATM 38 H H62 . RAM A 1 . ? 13.230 13.310 11.950 1.00 0.00 ? 2 RAM ? H62 1
HETATM 39 H H63 . RAM A 1 . ? 12.980 14.950 11.390 1.00 0.00 ? 2 RAM ? H63 1
HETATM 40 H H4O . RAM A 1 . ? 14.710 12.020 10.950 1.00 0.00 ? 2 RAM ? H4O 1
HETATM 41 H H2O . RAM A 1 . ? 16.310 15.590 7.920 1.00 0.00 ? 2 RAM ? H2O 1
HETATM 42 C C1 . RAM A 1 . ? 17.920 12.940 7.540 1.00 0.00 ? 3 RAM ? C1 1
HETATM 43 C C2 . RAM A 1 . ? 17.590 11.480 6.980 1.00 0.00 ? 3 RAM ? C2 1
HETATM 44 C C3 . RAM A 1 . ? 16.730 11.590 5.670 1.00 0.00 ? 3 RAM ? C3 1
HETATM 45 C C4 . RAM A 1 . ? 17.390 12.540 4.670 1.00 0.00 ? 3 RAM ? C4 1
HETATM 46 C C5 . RAM A 1 . ? 17.560 13.910 5.330 1.00 0.00 ? 3 RAM ? C5 1
HETATM 47 C C6 . RAM A 1 . ? 18.250 14.940 4.380 1.00 0.00 ? 3 RAM ? C6 1
HETATM 48 O O2 . RAM A 1 . ? 18.840 10.750 6.760 1.00 0.00 ? 3 RAM ? O2 1
HETATM 49 O O3 . RAM A 1 . ? 16.580 10.270 5.110 1.00 0.00 ? 3 RAM ? O3 1
HETATM 50 O O4 . RAM A 1 . ? 16.490 12.710 3.490 1.00 0.00 ? 3 RAM ? O4 1
HETATM 51 O O5 . RAM A 1 . ? 18.470 13.770 6.480 1.00 0.00 ? 3 RAM ? O5 1
HETATM 52 H H1 . RAM A 1 . ? 18.620 12.870 8.380 1.00 0.00 ? 3 RAM ? H1 1
HETATM 53 H H2 . RAM A 1 . ? 17.020 10.870 7.680 1.00 0.00 ? 3 RAM ? H2 1
HETATM 54 H H3 . RAM A 1 . ? 15.710 11.940 5.840 1.00 0.00 ? 3 RAM ? H3 1
HETATM 55 H H4 . RAM A 1 . ? 18.340 12.120 4.320 1.00 0.00 ? 3 RAM ? H4 1
HETATM 56 H H5 . RAM A 1 . ? 16.640 14.350 5.690 1.00 0.00 ? 3 RAM ? H5 1
HETATM 57 H H61 . RAM A 1 . ? 19.080 14.560 3.780 1.00 0.00 ? 3 RAM ? H61 1
HETATM 58 H H62 . RAM A 1 . ? 18.590 15.800 4.950 1.00 0.00 ? 3 RAM ? H62 1
HETATM 59 H H63 . RAM A 1 . ? 17.510 15.320 3.670 1.00 0.00 ? 3 RAM ? H63 1
HETATM 60 H H4O . RAM A 1 . ? 15.770 13.320 3.640 1.00 0.00 ? 3 RAM ? H4O 1
HETATM 61 H H3O . RAM A 1 . ? 15.860 9.790 5.540 1.00 0.00 ? 3 RAM ? H3O 1
HETATM 62 H H2O . RAM A 1 . ? 19.150 10.380 7.600 1.00 0.00 ? 3 RAM ? H2O 1
HETATM 63 H HO1 . ROH B 2 . ? 15.690 15.240 14.670 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 64 O O1 . ROH B 2 . ? 16.620 15.060 14.530 1.00 0.00 ? 1 ROH ? O1 1
#