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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-xylopyranose-(1-2)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
;
1392.271 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
FUC "L-saccharide, alpha linking" . alpha-L-fucopyranose "alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose" "C6 H12 O5" 164.156
GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "C6 H12 O6" 180.156
MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "C6 H12 O6" 180.156
NAG "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE" "C8 H15 N O6" 221.208
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 NAG . O4 ? ? ? 1_555 A NAG . C1 ? ? ? NAG 1 ? NAG 2 1_555 ? ? ? ? ? ? ? 1.437 sing ?
covale2 covale both ? A NAG . O6 ? ? ? 1_555 A FUC . C1 ? ? ? NAG 1 ? FUC 8 1_555 ? ? ? ? ? ? ? 1.460 sing ?
covale3 covale both ? A NAG . O4 ? ? ? 1_555 A MAN . C1 ? ? ? NAG 2 ? MAN 3 1_555 ? ? ? ? ? ? ? 1.493 sing ?
covale4 covale both ? A MAN . O3 ? ? ? 1_555 A MAN . C1 ? ? ? MAN 3 ? MAN 4 1_555 ? ? ? ? ? ? ? 1.477 sing ?
covale5 covale both ? A MAN . O2 ? ? ? 1_555 A XYS . C1 ? ? ? MAN 3 ? XYS 7 1_555 ? ? ? ? ? ? ? 1.526 sing ?
covale6 covale both ? A MAN . O2 ? ? ? 1_555 A NAG . C1 ? ? ? MAN 4 ? NAG 5 1_555 ? ? ? ? ? ? ? 1.443 sing ?
covale7 covale both ? A NAG . O4 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 5 ? GAL 6 1_555 ? ? ? ? ? ? ? 1.437 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 NAG
_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 1.50
#
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 ? . MAN 3 ? "WRONG HAND" .
2 1 C1 ? . XYS 7 ? "WRONG HAND" .
#
loop_
_pdbx_unobs_or_zero_occ_atoms.id
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num
_pdbx_unobs_or_zero_occ_atoms.polymer_flag
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id
_pdbx_unobs_or_zero_occ_atoms.label_alt_id
_pdbx_unobs_or_zero_occ_atoms.label_asym_id
_pdbx_unobs_or_zero_occ_atoms.label_comp_id
_pdbx_unobs_or_zero_occ_atoms.label_seq_id
_pdbx_unobs_or_zero_occ_atoms.label_atom_id
1 1 N 1 . NAG 1 ? C7 ? A NAG 1 C7
2 1 N 1 . NAG 1 ? C8 ? A NAG 1 C8
3 1 N 1 . NAG 1 ? O1 ? A NAG 1 O1
4 1 N 1 . NAG 1 ? O7 ? A NAG 1 O7
5 1 N 1 . NAG 2 ? C7 ? A NAG 2 C7
6 1 N 1 . NAG 2 ? C8 ? A NAG 2 C8
7 1 N 1 . NAG 2 ? O7 ? A NAG 2 O7
8 1 N 1 . NAG 5 ? C7 ? A NAG 5 C7
9 1 N 1 . NAG 5 ? C8 ? A NAG 5 C8
10 1 N 1 . NAG 5 ? O7 ? A NAG 5 O7
#
loop_
_atom_type.symbol
C
H
N
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 NAG 1 . NAG 1 ? NAG 2 n
A 1 NAG 2 . NAG 2 ? NAG 3 n
A 1 MAN 3 . MAN 3 ? MAN 4 n
A 1 MAN 4 . MAN 4 ? MAN 6 n
A 1 NAG 5 . NAG 5 ? NAG 7 n
A 1 GAL 6 . GAL 6 ? GAL 8 n
A 1 XYS 7 . XYS 7 ? XYS 5 n
A 1 FUC 8 . FUC 8 ? FUC 9 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
FUC "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LFucpa
FUC "COMMON NAME" GMML 1.0 a-L-fucopyranose
FUC "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Fucp
FUC "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Fuc
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
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
NAG "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGlcpNAcb
NAG "COMMON NAME" GMML 1.0 N-acetyl-b-D-glucopyranosamine
NAG "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-GlcpNAc
NAG "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 GlcNAc
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 "DGalpb1-4DGlcpNAcb1-2DManpa1-3[DXylpa1-2]DManpa1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-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 NAG C1 O1 1 NAG O4 HO4 sing ?
2 1 3 MAN C1 O1 2 NAG O4 HO4 sing ?
3 1 4 MAN C1 O1 3 MAN O3 HO3 sing ?
4 1 5 NAG C1 O1 4 MAN O2 HO2 sing ?
5 1 6 GAL C1 O1 5 NAG O4 HO4 sing ?
6 1 7 XYS C1 O1 3 MAN O2 HO2 sing ?
7 1 8 FUC C1 O1 1 NAG 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 NAG 1 n
1 NAG 2 n
1 MAN 3 n
1 MAN 4 n
1 NAG 5 n
1 GAL 6 n
1 XYS 7 n
1 FUC 8 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 . NAG A 1 . ? 10.940 15.630 21.520 1.00 0.00 ? 1 NAG ? C1 1
HETATM 2 C C2 . NAG A 1 . ? 11.380 14.890 20.220 1.00 0.00 ? 1 NAG ? C2 1
HETATM 3 C C3 . NAG A 1 . ? 12.750 15.420 19.800 1.00 0.00 ? 1 NAG ? C3 1
HETATM 4 C C4 . NAG A 1 . ? 12.820 17.010 19.590 1.00 0.00 ? 1 NAG ? C4 1
HETATM 5 C C5 . NAG A 1 . ? 12.420 17.610 20.960 1.00 0.00 ? 1 NAG ? C5 1
HETATM 6 C C6 . NAG A 1 . ? 12.460 19.090 20.890 1.00 0.00 ? 1 NAG ? C6 1
HETATM 7 N N2 . NAG A 1 . ? 11.310 13.450 20.420 1.00 0.00 ? 1 NAG ? N2 1
HETATM 8 O O3 . NAG A 1 . ? 13.050 14.890 18.460 1.00 0.00 ? 1 NAG ? O3 1
HETATM 9 O O4 . NAG A 1 . ? 14.240 17.390 19.200 1.00 0.00 ? 1 NAG ? O4 1
HETATM 10 O O5 . NAG A 1 . ? 11.080 17.090 21.390 1.00 0.00 ? 1 NAG ? O5 1
HETATM 11 O O6 . NAG A 1 . ? 11.480 19.610 19.880 1.00 0.00 ? 1 NAG ? O6 1
HETATM 12 H H1 . NAG A 1 . ? 11.590 15.400 22.360 1.00 0.00 ? 1 NAG ? H1 1
HETATM 13 H H2 . NAG A 1 . ? 10.730 15.210 19.400 1.00 0.00 ? 1 NAG ? H2 1
HETATM 14 H H3 . NAG A 1 . ? 13.500 15.130 20.530 1.00 0.00 ? 1 NAG ? H3 1
HETATM 15 H H4 . NAG A 1 . ? 12.200 17.400 18.780 1.00 0.00 ? 1 NAG ? H4 1
HETATM 16 H H5 . NAG A 1 . ? 13.170 17.230 21.650 1.00 0.00 ? 1 NAG ? H5 1
HETATM 17 H H61 . NAG A 1 . ? 12.190 19.400 21.900 1.00 0.00 ? 1 NAG ? H61 1
HETATM 18 H H62 . NAG A 1 . ? 13.480 19.400 20.670 1.00 0.00 ? 1 NAG ? H62 1
HETATM 19 H H3O . NAG A 1 . ? 13.950 15.100 18.210 1.00 0.00 ? 1 NAG ? H3O 1
HETATM 20 H H2N . NAG A 1 . ? 11.710 13.070 21.270 1.00 0.00 ? 1 NAG ? H2N 1
HETATM 21 C C2N . NAG A 1 . ? 10.210 12.890 19.860 1.00 0.00 ? 1 NAG ? C2N 1
HETATM 22 O O2N . NAG A 1 . ? 9.810 13.090 18.700 1.00 0.00 ? 1 NAG ? O2N 1
HETATM 23 C CME . NAG A 1 . ? 9.350 12.140 20.910 1.00 0.00 ? 1 NAG ? CME 1
HETATM 24 H H3M . NAG A 1 . ? 9.500 11.080 20.770 1.00 0.00 ? 1 NAG ? H3M 1
HETATM 25 H H2M . NAG A 1 . ? 9.690 12.400 21.920 1.00 0.00 ? 1 NAG ? H2M 1
HETATM 26 H H1M . NAG A 1 . ? 8.270 12.310 20.860 1.00 0.00 ? 1 NAG ? H1M 1
HETATM 27 C C1 . NAG A 1 . ? 14.470 17.910 17.880 1.00 0.00 ? 2 NAG ? C1 1
HETATM 28 C C2 . NAG A 1 . ? 15.840 18.610 17.860 1.00 0.00 ? 2 NAG ? C2 1
HETATM 29 C C3 . NAG A 1 . ? 16.020 19.200 16.440 1.00 0.00 ? 2 NAG ? C3 1
HETATM 30 C C4 . NAG A 1 . ? 15.890 18.140 15.360 1.00 0.00 ? 2 NAG ? C4 1
HETATM 31 C C5 . NAG A 1 . ? 14.650 17.210 15.480 1.00 0.00 ? 2 NAG ? C5 1
HETATM 32 C C6 . NAG A 1 . ? 14.620 15.970 14.600 1.00 0.00 ? 2 NAG ? C6 1
HETATM 33 N N2 . NAG A 1 . ? 15.750 19.750 18.820 1.00 0.00 ? 2 NAG ? N2 1
HETATM 34 O O3 . NAG A 1 . ? 17.310 19.850 16.320 1.00 0.00 ? 2 NAG ? O3 1
HETATM 35 O O4 . NAG A 1 . ? 15.620 18.830 14.100 1.00 0.00 ? 2 NAG ? O4 1
HETATM 36 O O5 . NAG A 1 . ? 14.310 16.810 16.920 1.00 0.00 ? 2 NAG ? O5 1
HETATM 37 O O6 . NAG A 1 . ? 13.290 15.450 14.430 1.00 0.00 ? 2 NAG ? O6 1
HETATM 38 H H1 . NAG A 1 . ? 13.710 18.640 17.600 1.00 0.00 ? 2 NAG ? H1 1
HETATM 39 H H2 . NAG A 1 . ? 16.650 17.910 18.050 1.00 0.00 ? 2 NAG ? H2 1
HETATM 40 H H3 . NAG A 1 . ? 15.240 19.930 16.220 1.00 0.00 ? 2 NAG ? H3 1
HETATM 41 H H4 . NAG A 1 . ? 16.810 17.550 15.360 1.00 0.00 ? 2 NAG ? H4 1
HETATM 42 H H5 . NAG A 1 . ? 13.810 17.790 15.090 1.00 0.00 ? 2 NAG ? H5 1
HETATM 43 H H61 . NAG A 1 . ? 15.000 16.260 13.620 1.00 0.00 ? 2 NAG ? H61 1
HETATM 44 H H62 . NAG A 1 . ? 15.240 15.180 15.020 1.00 0.00 ? 2 NAG ? H62 1
HETATM 45 H H6O . NAG A 1 . ? 13.390 14.510 14.580 1.00 0.00 ? 2 NAG ? H6O 1
HETATM 46 H H3O . NAG A 1 . ? 17.220 20.400 15.540 1.00 0.00 ? 2 NAG ? H3O 1
HETATM 47 H H2N . NAG A 1 . ? 15.420 20.590 18.380 1.00 0.00 ? 2 NAG ? H2N 1
HETATM 48 C C2N . NAG A 1 . ? 16.590 19.880 19.800 1.00 0.00 ? 2 NAG ? C2N 1
HETATM 49 O O2N . NAG A 1 . ? 16.800 18.960 20.600 1.00 0.00 ? 2 NAG ? O2N 1
HETATM 50 C CME . NAG A 1 . ? 17.220 21.210 19.960 1.00 0.00 ? 2 NAG ? CME 1
HETATM 51 H H3M . NAG A 1 . ? 16.620 22.030 19.560 1.00 0.00 ? 2 NAG ? H3M 1
HETATM 52 H H2M . NAG A 1 . ? 17.430 21.520 20.990 1.00 0.00 ? 2 NAG ? H2M 1
HETATM 53 H H1M . NAG A 1 . ? 18.170 21.230 19.420 1.00 0.00 ? 2 NAG ? H1M 1
HETATM 54 C C1 . MAN A 1 . ? 16.820 19.170 13.280 1.00 0.00 ? 3 MAN ? C1 1
HETATM 55 C C2 . MAN A 1 . ? 16.490 19.260 11.720 1.00 0.00 ? 3 MAN ? C2 1
HETATM 56 C C3 . MAN A 1 . ? 17.830 19.580 11.040 1.00 0.00 ? 3 MAN ? C3 1
HETATM 57 C C4 . MAN A 1 . ? 18.370 20.950 11.460 1.00 0.00 ? 3 MAN ? C4 1
HETATM 58 C C5 . MAN A 1 . ? 18.570 20.900 12.970 1.00 0.00 ? 3 MAN ? C5 1
HETATM 59 C C6 . MAN A 1 . ? 18.880 22.320 13.440 1.00 0.00 ? 3 MAN ? C6 1
HETATM 60 O O2 . MAN A 1 . ? 15.460 20.340 11.570 1.00 0.00 ? 3 MAN ? O2 1
HETATM 61 O O3 . MAN A 1 . ? 17.550 19.650 9.570 1.00 0.00 ? 3 MAN ? O3 1
HETATM 62 O O4 . MAN A 1 . ? 19.690 21.090 10.840 1.00 0.00 ? 3 MAN ? O4 1
HETATM 63 O O5 . MAN A 1 . ? 17.290 20.500 13.660 1.00 0.00 ? 3 MAN ? O5 1
HETATM 64 O O6 . MAN A 1 . ? 19.020 22.280 14.880 1.00 0.00 ? 3 MAN ? O6 1
HETATM 65 H H1 . MAN A 1 . ? 17.570 18.430 13.550 1.00 0.00 ? 3 MAN ? H1 1
HETATM 66 H H2 . MAN A 1 . ? 16.090 18.330 11.330 1.00 0.00 ? 3 MAN ? H2 1
HETATM 67 H H3 . MAN A 1 . ? 18.570 18.810 11.220 1.00 0.00 ? 3 MAN ? H3 1
HETATM 68 H H4 . MAN A 1 . ? 17.740 21.770 11.130 1.00 0.00 ? 3 MAN ? H4 1
HETATM 69 H H5 . MAN A 1 . ? 19.370 20.220 13.250 1.00 0.00 ? 3 MAN ? H5 1
HETATM 70 H H61 . MAN A 1 . ? 19.800 22.710 13.010 1.00 0.00 ? 3 MAN ? H61 1
HETATM 71 H H62 . MAN A 1 . ? 18.120 23.050 13.180 1.00 0.00 ? 3 MAN ? H62 1
HETATM 72 H H6O . MAN A 1 . ? 19.930 22.060 15.120 1.00 0.00 ? 3 MAN ? H6O 1
HETATM 73 H H4O . MAN A 1 . ? 19.710 21.900 10.320 1.00 0.00 ? 3 MAN ? H4O 1
HETATM 74 C C1 . MAN A 1 . ? 18.620 18.920 8.860 1.00 0.00 ? 4 MAN ? C1 1
HETATM 75 C C2 . MAN A 1 . ? 18.780 19.490 7.440 1.00 0.00 ? 4 MAN ? C2 1
HETATM 76 C C3 . MAN A 1 . ? 17.600 18.940 6.610 1.00 0.00 ? 4 MAN ? C3 1
HETATM 77 C C4 . MAN A 1 . ? 17.320 17.450 6.800 1.00 0.00 ? 4 MAN ? C4 1
HETATM 78 C C5 . MAN A 1 . ? 17.090 17.190 8.280 1.00 0.00 ? 4 MAN ? C5 1
HETATM 79 C C6 . MAN A 1 . ? 16.820 15.700 8.430 1.00 0.00 ? 4 MAN ? C6 1
HETATM 80 O O2 . MAN A 1 . ? 19.970 18.950 6.800 1.00 0.00 ? 4 MAN ? O2 1
HETATM 81 O O3 . MAN A 1 . ? 17.790 19.230 5.200 1.00 0.00 ? 4 MAN ? O3 1
HETATM 82 O O4 . MAN A 1 . ? 16.140 17.000 5.960 1.00 0.00 ? 4 MAN ? O4 1
HETATM 83 O O5 . MAN A 1 . ? 18.430 17.510 8.930 1.00 0.00 ? 4 MAN ? O5 1
HETATM 84 O O6 . MAN A 1 . ? 18.030 14.930 8.200 1.00 0.00 ? 4 MAN ? O6 1
HETATM 85 H H1 . MAN A 1 . ? 19.570 19.260 9.270 1.00 0.00 ? 4 MAN ? H1 1
HETATM 86 H H2 . MAN A 1 . ? 18.910 20.570 7.420 1.00 0.00 ? 4 MAN ? H2 1
HETATM 87 H H3 . MAN A 1 . ? 16.720 19.490 6.940 1.00 0.00 ? 4 MAN ? H3 1
HETATM 88 H H4 . MAN A 1 . ? 18.160 16.890 6.390 1.00 0.00 ? 4 MAN ? H4 1
HETATM 89 H H5 . MAN A 1 . ? 16.300 17.790 8.730 1.00 0.00 ? 4 MAN ? H5 1
HETATM 90 H H61 . MAN A 1 . ? 16.050 15.310 7.770 1.00 0.00 ? 4 MAN ? H61 1
HETATM 91 H H62 . MAN A 1 . ? 16.530 15.410 9.440 1.00 0.00 ? 4 MAN ? H62 1
HETATM 92 H H6O . MAN A 1 . ? 17.810 14.090 7.790 1.00 0.00 ? 4 MAN ? H6O 1
HETATM 93 H H4O . MAN A 1 . ? 16.280 17.070 5.010 1.00 0.00 ? 4 MAN ? H4O 1
HETATM 94 H H3O . MAN A 1 . ? 17.000 18.990 4.710 1.00 0.00 ? 4 MAN ? H3O 1
HETATM 95 C C1 . NAG A 1 . ? 21.130 19.780 7.020 1.00 0.00 ? 5 NAG ? C1 1
HETATM 96 C C2 . NAG A 1 . ? 22.330 19.170 6.390 1.00 0.00 ? 5 NAG ? C2 1
HETATM 97 C C3 . NAG A 1 . ? 23.630 19.990 6.750 1.00 0.00 ? 5 NAG ? C3 1
HETATM 98 C C4 . NAG A 1 . ? 23.490 21.360 6.130 1.00 0.00 ? 5 NAG ? C4 1
HETATM 99 C C5 . NAG A 1 . ? 22.200 22.060 6.500 1.00 0.00 ? 5 NAG ? C5 1
HETATM 100 C C6 . NAG A 1 . ? 22.000 23.440 5.720 1.00 0.00 ? 5 NAG ? C6 1
HETATM 101 N N2 . NAG A 1 . ? 22.650 17.800 6.830 1.00 0.00 ? 5 NAG ? N2 1
HETATM 102 O O3 . NAG A 1 . ? 24.800 19.370 6.120 1.00 0.00 ? 5 NAG ? O3 1
HETATM 103 O O4 . NAG A 1 . ? 24.660 22.230 6.660 1.00 0.00 ? 5 NAG ? O4 1
HETATM 104 O O5 . NAG A 1 . ? 21.020 21.120 6.420 1.00 0.00 ? 5 NAG ? O5 1
HETATM 105 O O6 . NAG A 1 . ? 22.160 23.200 4.370 1.00 0.00 ? 5 NAG ? O6 1
HETATM 106 H H1 . NAG A 1 . ? 21.400 19.810 8.080 1.00 0.00 ? 5 NAG ? H1 1
HETATM 107 H H2 . NAG A 1 . ? 22.180 19.160 5.310 1.00 0.00 ? 5 NAG ? H2 1
HETATM 108 H H3 . NAG A 1 . ? 23.750 19.960 7.830 1.00 0.00 ? 5 NAG ? H3 1
HETATM 109 H H4 . NAG A 1 . ? 23.550 21.160 5.060 1.00 0.00 ? 5 NAG ? H4 1
HETATM 110 H H5 . NAG A 1 . ? 22.250 22.280 7.570 1.00 0.00 ? 5 NAG ? H5 1
HETATM 111 H H61 . NAG A 1 . ? 21.040 23.920 5.930 1.00 0.00 ? 5 NAG ? H61 1
HETATM 112 H H62 . NAG A 1 . ? 22.810 24.120 5.970 1.00 0.00 ? 5 NAG ? H62 1
HETATM 113 H H6O . NAG A 1 . ? 21.750 22.360 4.130 1.00 0.00 ? 5 NAG ? H6O 1
HETATM 114 H H3O . NAG A 1 . ? 25.540 19.900 6.450 1.00 0.00 ? 5 NAG ? H3O 1
HETATM 115 H H2N . NAG A 1 . ? 23.070 17.830 7.750 1.00 0.00 ? 5 NAG ? H2N 1
HETATM 116 C C2N . NAG A 1 . ? 21.970 16.770 6.410 1.00 0.00 ? 5 NAG ? C2N 1
HETATM 117 O O2N . NAG A 1 . ? 22.010 16.400 5.220 1.00 0.00 ? 5 NAG ? O2N 1
HETATM 118 C CME . NAG A 1 . ? 21.230 15.920 7.500 1.00 0.00 ? 5 NAG ? CME 1
HETATM 119 H H3M . NAG A 1 . ? 20.390 16.500 7.870 1.00 0.00 ? 5 NAG ? H3M 1
HETATM 120 H H2M . NAG A 1 . ? 20.700 15.060 7.100 1.00 0.00 ? 5 NAG ? H2M 1
HETATM 121 H H1M . NAG A 1 . ? 21.880 15.550 8.300 1.00 0.00 ? 5 NAG ? H1M 1
HETATM 122 C C1 . GAL A 1 . ? 25.660 22.520 5.670 1.00 0.00 ? 6 GAL ? C1 1
HETATM 123 C C2 . GAL A 1 . ? 26.170 23.880 6.180 1.00 0.00 ? 6 GAL ? C2 1
HETATM 124 C C3 . GAL A 1 . ? 27.250 24.220 5.190 1.00 0.00 ? 6 GAL ? C3 1
HETATM 125 C C4 . GAL A 1 . ? 28.420 23.220 5.180 1.00 0.00 ? 6 GAL ? C4 1
HETATM 126 C C5 . GAL A 1 . ? 27.980 21.740 5.000 1.00 0.00 ? 6 GAL ? C5 1
HETATM 127 C C6 . GAL A 1 . ? 29.020 20.600 5.280 1.00 0.00 ? 6 GAL ? C6 1
HETATM 128 O O2 . GAL A 1 . ? 25.170 24.870 6.010 1.00 0.00 ? 6 GAL ? O2 1
HETATM 129 O O3 . GAL A 1 . ? 27.760 25.540 5.380 1.00 0.00 ? 6 GAL ? O3 1
HETATM 130 O O4 . GAL A 1 . ? 29.110 23.210 6.460 1.00 0.00 ? 6 GAL ? O4 1
HETATM 131 O O5 . GAL A 1 . ? 26.740 21.530 5.770 1.00 0.00 ? 6 GAL ? O5 1
HETATM 132 O O6 . GAL A 1 . ? 28.360 19.330 5.570 1.00 0.00 ? 6 GAL ? O6 1
HETATM 133 H H1 . GAL A 1 . ? 25.120 22.530 4.730 1.00 0.00 ? 6 GAL ? H1 1
HETATM 134 H H2 . GAL A 1 . ? 26.500 23.820 7.210 1.00 0.00 ? 6 GAL ? H2 1
HETATM 135 H H3 . GAL A 1 . ? 26.800 24.170 4.200 1.00 0.00 ? 6 GAL ? H3 1
HETATM 136 H H4 . GAL A 1 . ? 29.130 23.460 4.400 1.00 0.00 ? 6 GAL ? H4 1
HETATM 137 H H5 . GAL A 1 . ? 27.710 21.660 3.950 1.00 0.00 ? 6 GAL ? H5 1
HETATM 138 H H61 . GAL A 1 . ? 29.650 20.320 4.430 1.00 0.00 ? 6 GAL ? H61 1
HETATM 139 H H62 . GAL A 1 . ? 29.730 20.810 6.090 1.00 0.00 ? 6 GAL ? H62 1
HETATM 140 H H6O . GAL A 1 . ? 27.470 19.560 5.870 1.00 0.00 ? 6 GAL ? H6O 1
HETATM 141 H H4O . GAL A 1 . ? 29.100 24.100 6.830 1.00 0.00 ? 6 GAL ? H4O 1
HETATM 142 H H3O . GAL A 1 . ? 27.150 26.060 5.910 1.00 0.00 ? 6 GAL ? H3O 1
HETATM 143 H H2O . GAL A 1 . ? 25.010 24.910 5.070 1.00 0.00 ? 6 GAL ? H2O 1
HETATM 144 C C1 . XYS A 1 . ? 14.060 19.830 11.240 1.00 0.00 ? 7 XYS ? C1 1
HETATM 145 C C2 . XYS A 1 . ? 13.230 21.160 10.910 1.00 0.00 ? 7 XYS ? C2 1
HETATM 146 C C3 . XYS A 1 . ? 11.740 20.880 10.580 1.00 0.00 ? 7 XYS ? C3 1
HETATM 147 C C4 . XYS A 1 . ? 11.650 19.680 9.560 1.00 0.00 ? 7 XYS ? C4 1
HETATM 148 C C5 . XYS A 1 . ? 12.640 18.510 9.780 1.00 0.00 ? 7 XYS ? C5 1
HETATM 149 O O2 . XYS A 1 . ? 13.090 21.970 12.110 1.00 0.00 ? 7 XYS ? O2 1
HETATM 150 O O3 . XYS A 1 . ? 11.260 21.960 9.830 1.00 0.00 ? 7 XYS ? O3 1
HETATM 151 O O4 . XYS A 1 . ? 10.240 19.210 9.530 1.00 0.00 ? 7 XYS ? O4 1
HETATM 152 O O5 . XYS A 1 . ? 14.010 18.950 10.040 1.00 0.00 ? 7 XYS ? O5 1
HETATM 153 H H1 . XYS A 1 . ? 13.600 19.330 12.100 1.00 0.00 ? 7 XYS ? H1 1
HETATM 154 H H2 . XYS A 1 . ? 13.700 21.740 10.120 1.00 0.00 ? 7 XYS ? H2 1
HETATM 155 H H3 . XYS A 1 . ? 11.150 20.740 11.490 1.00 0.00 ? 7 XYS ? H3 1
HETATM 156 H H4 . XYS A 1 . ? 11.920 20.020 8.560 1.00 0.00 ? 7 XYS ? H4 1
HETATM 157 H H5E . XYS A 1 . ? 12.680 17.870 8.910 1.00 0.00 ? 7 XYS ? H5E 1
HETATM 158 H H5A . XYS A 1 . ? 12.250 17.870 10.570 1.00 0.00 ? 7 XYS ? H5A 1
HETATM 159 H H4O . XYS A 1 . ? 9.710 20.000 9.400 1.00 0.00 ? 7 XYS ? H4O 1
HETATM 160 H H3O . XYS A 1 . ? 11.630 22.090 8.960 1.00 0.00 ? 7 XYS ? H3O 1
HETATM 161 H H2O . XYS A 1 . ? 12.720 22.820 11.840 1.00 0.00 ? 7 XYS ? H2O 1
HETATM 162 C C1 . FUC A 1 . ? 11.950 20.860 19.290 1.00 0.00 ? 8 FUC ? C1 1
HETATM 163 C C2 . FUC A 1 . ? 11.270 21.030 17.960 1.00 0.00 ? 8 FUC ? C2 1
HETATM 164 C C3 . FUC A 1 . ? 9.770 21.350 18.170 1.00 0.00 ? 8 FUC ? C3 1
HETATM 165 C C4 . FUC A 1 . ? 9.620 22.510 19.160 1.00 0.00 ? 8 FUC ? C4 1
HETATM 166 C C5 . FUC A 1 . ? 10.360 22.200 20.490 1.00 0.00 ? 8 FUC ? C5 1
HETATM 167 C C6 . FUC A 1 . ? 10.350 23.280 21.540 1.00 0.00 ? 8 FUC ? C6 1
HETATM 168 O O2 . FUC A 1 . ? 11.450 19.760 17.240 1.00 0.00 ? 8 FUC ? O2 1
HETATM 169 O O3 . FUC A 1 . ? 9.120 21.740 16.930 1.00 0.00 ? 8 FUC ? O3 1
HETATM 170 O O4 . FUC A 1 . ? 10.290 23.680 18.610 1.00 0.00 ? 8 FUC ? O4 1
HETATM 171 O O5 . FUC A 1 . ? 11.760 21.900 20.220 1.00 0.00 ? 8 FUC ? O5 1
HETATM 172 H H1 . FUC A 1 . ? 12.990 20.670 19.010 1.00 0.00 ? 8 FUC ? H1 1
HETATM 173 H H2 . FUC A 1 . ? 11.770 21.820 17.400 1.00 0.00 ? 8 FUC ? H2 1
HETATM 174 H H3 . FUC A 1 . ? 9.310 20.480 18.650 1.00 0.00 ? 8 FUC ? H3 1
HETATM 175 H H4 . FUC A 1 . ? 8.590 22.790 19.380 1.00 0.00 ? 8 FUC ? H4 1
HETATM 176 H H5 . FUC A 1 . ? 9.860 21.340 20.950 1.00 0.00 ? 8 FUC ? H5 1
HETATM 177 H H61 . FUC A 1 . ? 10.890 24.170 21.220 1.00 0.00 ? 8 FUC ? H61 1
HETATM 178 H H62 . FUC A 1 . ? 10.720 22.920 22.500 1.00 0.00 ? 8 FUC ? H62 1
HETATM 179 H H63 . FUC A 1 . ? 9.340 23.610 21.800 1.00 0.00 ? 8 FUC ? H63 1
HETATM 180 H H4O . FUC A 1 . ? 10.050 24.450 19.140 1.00 0.00 ? 8 FUC ? H4O 1
HETATM 181 H H3O . FUC A 1 . ? 8.450 21.110 16.650 1.00 0.00 ? 8 FUC ? H3O 1
HETATM 182 H H2O . FUC A 1 . ? 11.360 18.970 17.790 1.00 0.00 ? 8 FUC ? H2O 1
HETATM 183 H HO1 . ROH B 2 . ? 9.500 15.400 22.770 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 184 O O1 . ROH B 2 . ? 9.510 15.280 21.820 1.00 0.00 ? 1 ROH ? O1 1
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