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-(1-6)-alpha-D-glucopyranose-(1-2)-alpha-L-arabinopyranose" 458.412 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
ARA "L-saccharide, alpha linking" . alpha-L-arabinopyranose "alpha-L-arabinose; L-arabinose; arabinose" "C5 H10 O5" 150.130
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 ARA . O2 ? ? ? 1_555 A GLC . C1 ? ? ? ARA 1 ? GLC 2 1_555 ? ? ? ? ? ? ? 1.468 sing ?
covale2 covale both ? A GLC . O6 ? ? ? 1_555 A RAM . C1 ? ? ? GLC 2 ? RAM 3 1_555 ? ? ? ? ? ? ? 1.527 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 ARA
_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 1.36
#
_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 GLC
_pdbx_validate_chiral.auth_seq_id 2
_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 ARA
_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 ARA
_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 ARA 1 . ARA 1 ? ARA 2 n
A 1 GLC 2 . GLC 2 ? GLC 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
ARA "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LArapa
ARA "COMMON NAME" GMML 1.0 a-L-arabinopyranose
ARA "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Arap
ARA "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Ara
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 LRhapa1-6DGlcpa1-2LArapa1-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 GLC C1 O1 1 ARA O2 HO2 sing ?
2 1 3 RAM C1 O1 2 GLC 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 ARA 1 n
1 GLC 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 . ARA A 1 . ? 5.310 7.910 16.700 1.00 0.00 ? 1 ARA ? C1 1
HETATM 2 C C2 . ARA A 1 . ? 5.680 9.330 17.070 1.00 0.00 ? 1 ARA ? C2 1
HETATM 3 C C3 . ARA A 1 . ? 4.830 9.900 18.200 1.00 0.00 ? 1 ARA ? C3 1
HETATM 4 C C4 . ARA A 1 . ? 4.780 8.910 19.390 1.00 0.00 ? 1 ARA ? C4 1
HETATM 5 C C5 . ARA A 1 . ? 4.300 7.600 18.880 1.00 0.00 ? 1 ARA ? C5 1
HETATM 6 O O2 . ARA A 1 . ? 7.130 9.620 17.360 1.00 0.00 ? 1 ARA ? O2 1
HETATM 7 O O3 . ARA A 1 . ? 3.490 10.300 17.800 1.00 0.00 ? 1 ARA ? O3 1
HETATM 8 O O4 . ARA A 1 . ? 4.020 9.360 20.600 1.00 0.00 ? 1 ARA ? O4 1
HETATM 9 O O5 . ARA A 1 . ? 5.150 6.990 17.870 1.00 0.00 ? 1 ARA ? O5 1
HETATM 10 H H1 . ARA A 1 . ? 6.020 7.470 16.000 1.00 0.00 ? 1 ARA ? H1 1
HETATM 11 H H2 . ARA A 1 . ? 5.520 9.940 16.180 1.00 0.00 ? 1 ARA ? H2 1
HETATM 12 H H3 . ARA A 1 . ? 5.390 10.790 18.490 1.00 0.00 ? 1 ARA ? H3 1
HETATM 13 H H4 . ARA A 1 . ? 5.810 8.720 19.680 1.00 0.00 ? 1 ARA ? H4 1
HETATM 14 H H5A . ARA A 1 . ? 3.270 7.710 18.530 1.00 0.00 ? 1 ARA ? H5A 1
HETATM 15 H H5E . ARA A 1 . ? 4.280 6.800 19.620 1.00 0.00 ? 1 ARA ? H5E 1
HETATM 16 H H4O . ARA A 1 . ? 4.510 9.070 21.370 1.00 0.00 ? 1 ARA ? H4O 1
HETATM 17 H H3O . ARA A 1 . ? 3.490 11.170 17.400 1.00 0.00 ? 1 ARA ? H3O 1
HETATM 18 C C1 . GLC A 1 . ? 7.960 9.670 16.150 1.00 0.00 ? 2 GLC ? C1 1
HETATM 19 C C2 . GLC A 1 . ? 9.250 10.350 16.460 1.00 0.00 ? 2 GLC ? C2 1
HETATM 20 C C3 . GLC A 1 . ? 10.040 10.300 15.110 1.00 0.00 ? 2 GLC ? C3 1
HETATM 21 C C4 . GLC A 1 . ? 10.420 8.930 14.570 1.00 0.00 ? 2 GLC ? C4 1
HETATM 22 C C5 . GLC A 1 . ? 9.160 8.020 14.590 1.00 0.00 ? 2 GLC ? C5 1
HETATM 23 C C6 . GLC A 1 . ? 9.530 6.520 14.530 1.00 0.00 ? 2 GLC ? C6 1
HETATM 24 O O2 . GLC A 1 . ? 8.930 11.670 16.950 1.00 0.00 ? 2 GLC ? O2 1
HETATM 25 O O3 . GLC A 1 . ? 11.240 11.090 15.240 1.00 0.00 ? 2 GLC ? O3 1
HETATM 26 O O4 . GLC A 1 . ? 10.970 8.920 13.200 1.00 0.00 ? 2 GLC ? O4 1
HETATM 27 O O5 . GLC A 1 . ? 8.220 8.230 15.760 1.00 0.00 ? 2 GLC ? O5 1
HETATM 28 O O6 . GLC A 1 . ? 10.210 6.090 15.750 1.00 0.00 ? 2 GLC ? O6 1
HETATM 29 H H1 . GLC A 1 . ? 7.500 10.240 15.350 1.00 0.00 ? 2 GLC ? H1 1
HETATM 30 H H2 . GLC A 1 . ? 9.770 9.780 17.230 1.00 0.00 ? 2 GLC ? H2 1
HETATM 31 H H3 . GLC A 1 . ? 9.410 10.790 14.360 1.00 0.00 ? 2 GLC ? H3 1
HETATM 32 H H4 . GLC A 1 . ? 11.070 8.540 15.350 1.00 0.00 ? 2 GLC ? H4 1
HETATM 33 H H5 . GLC A 1 . ? 8.480 8.390 13.820 1.00 0.00 ? 2 GLC ? H5 1
HETATM 34 H H61 . GLC A 1 . ? 8.590 5.980 14.410 1.00 0.00 ? 2 GLC ? H61 1
HETATM 35 H H62 . GLC A 1 . ? 10.120 6.320 13.630 1.00 0.00 ? 2 GLC ? H62 1
HETATM 36 H H4O . GLC A 1 . ? 11.850 9.290 13.240 1.00 0.00 ? 2 GLC ? H4O 1
HETATM 37 H H3O . GLC A 1 . ? 11.760 11.030 14.430 1.00 0.00 ? 2 GLC ? H3O 1
HETATM 38 H H2O . GLC A 1 . ? 8.030 11.900 16.700 1.00 0.00 ? 2 GLC ? H2O 1
HETATM 39 C C1 . RAM A 1 . ? 10.130 4.580 15.960 1.00 0.00 ? 3 RAM ? C1 1
HETATM 40 C C2 . RAM A 1 . ? 10.920 4.130 17.170 1.00 0.00 ? 3 RAM ? C2 1
HETATM 41 C C3 . RAM A 1 . ? 10.360 4.830 18.400 1.00 0.00 ? 3 RAM ? C3 1
HETATM 42 C C4 . RAM A 1 . ? 8.880 4.480 18.610 1.00 0.00 ? 3 RAM ? C4 1
HETATM 43 C C5 . RAM A 1 . ? 8.050 4.610 17.370 1.00 0.00 ? 3 RAM ? C5 1
HETATM 44 C C6 . RAM A 1 . ? 6.670 3.960 17.460 1.00 0.00 ? 3 RAM ? C6 1
HETATM 45 O O2 . RAM A 1 . ? 10.890 2.670 17.240 1.00 0.00 ? 3 RAM ? O2 1
HETATM 46 O O3 . RAM A 1 . ? 11.050 4.440 19.630 1.00 0.00 ? 3 RAM ? O3 1
HETATM 47 O O4 . RAM A 1 . ? 8.450 5.380 19.600 1.00 0.00 ? 3 RAM ? O4 1
HETATM 48 O O5 . RAM A 1 . ? 8.770 4.160 16.170 1.00 0.00 ? 3 RAM ? O5 1
HETATM 49 H H1 . RAM A 1 . ? 10.560 4.050 15.110 1.00 0.00 ? 3 RAM ? H1 1
HETATM 50 H H2 . RAM A 1 . ? 11.960 4.440 17.180 1.00 0.00 ? 3 RAM ? H2 1
HETATM 51 H H3 . RAM A 1 . ? 10.530 5.890 18.270 1.00 0.00 ? 3 RAM ? H3 1
HETATM 52 H H4 . RAM A 1 . ? 8.720 3.440 18.890 1.00 0.00 ? 3 RAM ? H4 1
HETATM 53 H H5 . RAM A 1 . ? 7.910 5.680 17.210 1.00 0.00 ? 3 RAM ? H5 1
HETATM 54 H H61 . RAM A 1 . ? 6.090 4.500 18.210 1.00 0.00 ? 3 RAM ? H61 1
HETATM 55 H H62 . RAM A 1 . ? 6.720 2.900 17.690 1.00 0.00 ? 3 RAM ? H62 1
HETATM 56 H H63 . RAM A 1 . ? 6.140 3.980 16.510 1.00 0.00 ? 3 RAM ? H63 1
HETATM 57 H H4O . RAM A 1 . ? 8.540 4.990 20.470 1.00 0.00 ? 3 RAM ? H4O 1
HETATM 58 H H3O . RAM A 1 . ? 10.830 5.040 20.350 1.00 0.00 ? 3 RAM ? H3O 1
HETATM 59 H H2O . RAM A 1 . ? 10.360 2.180 16.600 1.00 0.00 ? 3 RAM ? H2O 1
HETATM 60 H HO1 . ROH B 2 . ? 4.210 8.450 15.180 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 61 O O1 . ROH B 2 . ? 4.140 7.970 16.010 1.00 0.00 ? 1 ROH ? O1 1
#