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-(1-2)-alpha-D-glucopyranose" 326.297 1 ? ? ? ?
2 non-polymer syn ? ? 1 ? ? ? ?
3 non-polymer syn "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" 972.844 3 ? ? ? ?
#
loop_
_pdbx_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.ndb_seq_num
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.pdb_mon_id
_pdbx_nonpoly_scheme.auth_mon_id
_pdbx_nonpoly_scheme.pdb_strand_id
_pdbx_nonpoly_scheme.pdb_ins_code
B 2 ROH 1 1 1 ROH ROH ? .
C 3 ACX 1 4 4 ACX ACX ? .
D 3 ACX 1 5 5 ACX ACX ? .
E 3 ACX 1 6 6 ACX ACX ? .
#
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
ACX saccharide . "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" ? "C36 H60 O30" 972.844
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" ? ? ?
#
_struct_conn.id covale1
_struct_conn.conn_type_id covale
_struct_conn.pdbx_leaving_atom_flag both
_struct_conn.pdbx_PDB_id ?
_struct_conn.ptnr1_label_asym_id A
_struct_conn.ptnr1_label_comp_id GLC
_struct_conn.ptnr1_label_seq_id .
_struct_conn.ptnr1_label_atom_id O2
_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 1_555
_struct_conn.ptnr2_label_asym_id A
_struct_conn.ptnr2_label_comp_id RAM
_struct_conn.ptnr2_label_seq_id .
_struct_conn.ptnr2_label_atom_id C1
_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 GLC
_struct_conn.ptnr1_auth_seq_id 1
_struct_conn.ptnr2_auth_asym_id ?
_struct_conn.ptnr2_auth_comp_id RAM
_struct_conn.ptnr2_auth_seq_id 2
_struct_conn.ptnr2_symmetry 1_555
_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 1.501
_struct_conn.pdbx_value_order sing
_struct_conn.pdbx_role ?
#
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 ?
C N N 3 ?
D N N 3 ?
E N N 3 ?
#
_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
#
loop_
_pdbx_validate_close_contact.id
_pdbx_validate_close_contact.PDB_model_num
_pdbx_validate_close_contact.auth_atom_id_1
_pdbx_validate_close_contact.auth_asym_id_1
_pdbx_validate_close_contact.auth_comp_id_1
_pdbx_validate_close_contact.auth_seq_id_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
_pdbx_validate_close_contact.auth_asym_id_2
_pdbx_validate_close_contact.auth_comp_id_2
_pdbx_validate_close_contact.auth_seq_id_2
_pdbx_validate_close_contact.PDB_ins_code_2
_pdbx_validate_close_contact.label_alt_id_2
_pdbx_validate_close_contact.dist
1 1 O2 . RAM 2 ? ? C1A . ACX 4 ? ? 1.33
2 1 O3 . RAM 2 ? ? C1A . ACX 5 ? ? 1.33
3 1 O4 . RAM 2 ? ? C1A . ACX 6 ? ? 1.33
4 1 O1 . ROH 1 ? ? C1 . GLC 1 ? ? 1.40
#
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 . GLC 1 ? O1 ? A GLC 1 O1
2 1 N 1 . ACX 4 ? C1F ? C ACX 1 C1F
3 1 N 1 . ACX 4 ? C2F ? C ACX 1 C2F
4 1 N 1 . ACX 4 ? C3F ? C ACX 1 C3F
5 1 N 1 . ACX 4 ? C4F ? C ACX 1 C4F
6 1 N 1 . ACX 4 ? C5F ? C ACX 1 C5F
7 1 N 1 . ACX 4 ? C6F ? C ACX 1 C6F
8 1 N 1 . ACX 4 ? O2F ? C ACX 1 O2F
9 1 N 1 . ACX 4 ? O3F ? C ACX 1 O3F
10 1 N 1 . ACX 4 ? O1E ? C ACX 1 O1E
11 1 N 1 . ACX 4 ? O5F ? C ACX 1 O5F
12 1 N 1 . ACX 4 ? O6F ? C ACX 1 O6F
13 1 N 1 . ACX 4 ? C1E ? C ACX 1 C1E
14 1 N 1 . ACX 4 ? C2E ? C ACX 1 C2E
15 1 N 1 . ACX 4 ? C3E ? C ACX 1 C3E
16 1 N 1 . ACX 4 ? C4E ? C ACX 1 C4E
17 1 N 1 . ACX 4 ? C5E ? C ACX 1 C5E
18 1 N 1 . ACX 4 ? C6E ? C ACX 1 C6E
19 1 N 1 . ACX 4 ? O2E ? C ACX 1 O2E
20 1 N 1 . ACX 4 ? O3E ? C ACX 1 O3E
21 1 N 1 . ACX 4 ? O1D ? C ACX 1 O1D
22 1 N 1 . ACX 4 ? O5E ? C ACX 1 O5E
23 1 N 1 . ACX 4 ? O6E ? C ACX 1 O6E
24 1 N 1 . ACX 4 ? C1D ? C ACX 1 C1D
25 1 N 1 . ACX 4 ? C2D ? C ACX 1 C2D
26 1 N 1 . ACX 4 ? C3D ? C ACX 1 C3D
27 1 N 1 . ACX 4 ? C4D ? C ACX 1 C4D
28 1 N 1 . ACX 4 ? C5D ? C ACX 1 C5D
29 1 N 1 . ACX 4 ? C6D ? C ACX 1 C6D
30 1 N 1 . ACX 4 ? O2D ? C ACX 1 O2D
31 1 N 1 . ACX 4 ? O3D ? C ACX 1 O3D
32 1 N 1 . ACX 4 ? O1C ? C ACX 1 O1C
33 1 N 1 . ACX 4 ? O5D ? C ACX 1 O5D
34 1 N 1 . ACX 4 ? O6D ? C ACX 1 O6D
35 1 N 1 . ACX 4 ? C1C ? C ACX 1 C1C
36 1 N 1 . ACX 4 ? C2C ? C ACX 1 C2C
37 1 N 1 . ACX 4 ? C3C ? C ACX 1 C3C
38 1 N 1 . ACX 4 ? C4C ? C ACX 1 C4C
39 1 N 1 . ACX 4 ? C5C ? C ACX 1 C5C
40 1 N 1 . ACX 4 ? C6C ? C ACX 1 C6C
41 1 N 1 . ACX 4 ? O2C ? C ACX 1 O2C
42 1 N 1 . ACX 4 ? O3C ? C ACX 1 O3C
43 1 N 1 . ACX 4 ? O1B ? C ACX 1 O1B
44 1 N 1 . ACX 4 ? O5C ? C ACX 1 O5C
45 1 N 1 . ACX 4 ? O6C ? C ACX 1 O6C
46 1 N 1 . ACX 4 ? C1B ? C ACX 1 C1B
47 1 N 1 . ACX 4 ? C2B ? C ACX 1 C2B
48 1 N 1 . ACX 4 ? C3B ? C ACX 1 C3B
49 1 N 1 . ACX 4 ? C4B ? C ACX 1 C4B
50 1 N 1 . ACX 4 ? C5B ? C ACX 1 C5B
51 1 N 1 . ACX 4 ? C6B ? C ACX 1 C6B
52 1 N 1 . ACX 4 ? O2B ? C ACX 1 O2B
53 1 N 1 . ACX 4 ? O3B ? C ACX 1 O3B
54 1 N 1 . ACX 4 ? O5B ? C ACX 1 O5B
55 1 N 1 . ACX 4 ? O6B ? C ACX 1 O6B
56 1 N 1 . ACX 4 ? C3A ? C ACX 1 C3A
57 1 N 1 . ACX 4 ? C4A ? C ACX 1 C4A
58 1 N 1 . ACX 4 ? C5A ? C ACX 1 C5A
59 1 N 1 . ACX 4 ? C6A ? C ACX 1 C6A
60 1 N 1 . ACX 4 ? O2A ? C ACX 1 O2A
61 1 N 1 . ACX 4 ? O3A ? C ACX 1 O3A
62 1 N 1 . ACX 4 ? O1F ? C ACX 1 O1F
63 1 N 1 . ACX 4 ? O5A ? C ACX 1 O5A
64 1 N 1 . ACX 4 ? O6A ? C ACX 1 O6A
65 1 N 1 . ACX 5 ? C1F ? D ACX 1 C1F
66 1 N 1 . ACX 5 ? C2F ? D ACX 1 C2F
67 1 N 1 . ACX 5 ? C3F ? D ACX 1 C3F
68 1 N 1 . ACX 5 ? C4F ? D ACX 1 C4F
69 1 N 1 . ACX 5 ? C5F ? D ACX 1 C5F
70 1 N 1 . ACX 5 ? C6F ? D ACX 1 C6F
71 1 N 1 . ACX 5 ? O2F ? D ACX 1 O2F
72 1 N 1 . ACX 5 ? O3F ? D ACX 1 O3F
73 1 N 1 . ACX 5 ? O1E ? D ACX 1 O1E
74 1 N 1 . ACX 5 ? O5F ? D ACX 1 O5F
75 1 N 1 . ACX 5 ? O6F ? D ACX 1 O6F
76 1 N 1 . ACX 5 ? C1E ? D ACX 1 C1E
77 1 N 1 . ACX 5 ? C2E ? D ACX 1 C2E
78 1 N 1 . ACX 5 ? C3E ? D ACX 1 C3E
79 1 N 1 . ACX 5 ? C4E ? D ACX 1 C4E
80 1 N 1 . ACX 5 ? C5E ? D ACX 1 C5E
81 1 N 1 . ACX 5 ? C6E ? D ACX 1 C6E
82 1 N 1 . ACX 5 ? O2E ? D ACX 1 O2E
83 1 N 1 . ACX 5 ? O3E ? D ACX 1 O3E
84 1 N 1 . ACX 5 ? O1D ? D ACX 1 O1D
85 1 N 1 . ACX 5 ? O5E ? D ACX 1 O5E
86 1 N 1 . ACX 5 ? O6E ? D ACX 1 O6E
87 1 N 1 . ACX 5 ? C1D ? D ACX 1 C1D
88 1 N 1 . ACX 5 ? C2D ? D ACX 1 C2D
89 1 N 1 . ACX 5 ? C3D ? D ACX 1 C3D
90 1 N 1 . ACX 5 ? C4D ? D ACX 1 C4D
91 1 N 1 . ACX 5 ? C5D ? D ACX 1 C5D
92 1 N 1 . ACX 5 ? C6D ? D ACX 1 C6D
93 1 N 1 . ACX 5 ? O2D ? D ACX 1 O2D
94 1 N 1 . ACX 5 ? O3D ? D ACX 1 O3D
95 1 N 1 . ACX 5 ? O1C ? D ACX 1 O1C
96 1 N 1 . ACX 5 ? O5D ? D ACX 1 O5D
97 1 N 1 . ACX 5 ? O6D ? D ACX 1 O6D
98 1 N 1 . ACX 5 ? C1C ? D ACX 1 C1C
99 1 N 1 . ACX 5 ? C2C ? D ACX 1 C2C
100 1 N 1 . ACX 5 ? C3C ? D ACX 1 C3C
101 1 N 1 . ACX 5 ? C4C ? D ACX 1 C4C
102 1 N 1 . ACX 5 ? C5C ? D ACX 1 C5C
103 1 N 1 . ACX 5 ? C6C ? D ACX 1 C6C
104 1 N 1 . ACX 5 ? O2C ? D ACX 1 O2C
105 1 N 1 . ACX 5 ? O3C ? D ACX 1 O3C
106 1 N 1 . ACX 5 ? O1B ? D ACX 1 O1B
107 1 N 1 . ACX 5 ? O5C ? D ACX 1 O5C
108 1 N 1 . ACX 5 ? O6C ? D ACX 1 O6C
109 1 N 1 . ACX 5 ? C1B ? D ACX 1 C1B
110 1 N 1 . ACX 5 ? C2B ? D ACX 1 C2B
111 1 N 1 . ACX 5 ? C3B ? D ACX 1 C3B
112 1 N 1 . ACX 5 ? C4B ? D ACX 1 C4B
113 1 N 1 . ACX 5 ? C5B ? D ACX 1 C5B
114 1 N 1 . ACX 5 ? C6B ? D ACX 1 C6B
115 1 N 1 . ACX 5 ? O2B ? D ACX 1 O2B
116 1 N 1 . ACX 5 ? O3B ? D ACX 1 O3B
117 1 N 1 . ACX 5 ? O5B ? D ACX 1 O5B
118 1 N 1 . ACX 5 ? O6B ? D ACX 1 O6B
119 1 N 1 . ACX 5 ? C3A ? D ACX 1 C3A
120 1 N 1 . ACX 5 ? C4A ? D ACX 1 C4A
121 1 N 1 . ACX 5 ? C5A ? D ACX 1 C5A
122 1 N 1 . ACX 5 ? C6A ? D ACX 1 C6A
123 1 N 1 . ACX 5 ? O2A ? D ACX 1 O2A
124 1 N 1 . ACX 5 ? O3A ? D ACX 1 O3A
125 1 N 1 . ACX 5 ? O1F ? D ACX 1 O1F
126 1 N 1 . ACX 5 ? O5A ? D ACX 1 O5A
127 1 N 1 . ACX 5 ? O6A ? D ACX 1 O6A
128 1 N 1 . ACX 6 ? C1F ? E ACX 1 C1F
129 1 N 1 . ACX 6 ? C2F ? E ACX 1 C2F
130 1 N 1 . ACX 6 ? C3F ? E ACX 1 C3F
131 1 N 1 . ACX 6 ? C4F ? E ACX 1 C4F
132 1 N 1 . ACX 6 ? C5F ? E ACX 1 C5F
133 1 N 1 . ACX 6 ? C6F ? E ACX 1 C6F
134 1 N 1 . ACX 6 ? O2F ? E ACX 1 O2F
135 1 N 1 . ACX 6 ? O3F ? E ACX 1 O3F
136 1 N 1 . ACX 6 ? O1E ? E ACX 1 O1E
137 1 N 1 . ACX 6 ? O5F ? E ACX 1 O5F
138 1 N 1 . ACX 6 ? O6F ? E ACX 1 O6F
139 1 N 1 . ACX 6 ? C1E ? E ACX 1 C1E
140 1 N 1 . ACX 6 ? C2E ? E ACX 1 C2E
141 1 N 1 . ACX 6 ? C3E ? E ACX 1 C3E
142 1 N 1 . ACX 6 ? C4E ? E ACX 1 C4E
143 1 N 1 . ACX 6 ? C5E ? E ACX 1 C5E
144 1 N 1 . ACX 6 ? C6E ? E ACX 1 C6E
145 1 N 1 . ACX 6 ? O2E ? E ACX 1 O2E
146 1 N 1 . ACX 6 ? O3E ? E ACX 1 O3E
147 1 N 1 . ACX 6 ? O1D ? E ACX 1 O1D
148 1 N 1 . ACX 6 ? O5E ? E ACX 1 O5E
149 1 N 1 . ACX 6 ? O6E ? E ACX 1 O6E
150 1 N 1 . ACX 6 ? C1D ? E ACX 1 C1D
151 1 N 1 . ACX 6 ? C2D ? E ACX 1 C2D
152 1 N 1 . ACX 6 ? C3D ? E ACX 1 C3D
153 1 N 1 . ACX 6 ? C4D ? E ACX 1 C4D
154 1 N 1 . ACX 6 ? C5D ? E ACX 1 C5D
155 1 N 1 . ACX 6 ? C6D ? E ACX 1 C6D
156 1 N 1 . ACX 6 ? O2D ? E ACX 1 O2D
157 1 N 1 . ACX 6 ? O3D ? E ACX 1 O3D
158 1 N 1 . ACX 6 ? O1C ? E ACX 1 O1C
159 1 N 1 . ACX 6 ? O5D ? E ACX 1 O5D
160 1 N 1 . ACX 6 ? O6D ? E ACX 1 O6D
161 1 N 1 . ACX 6 ? C1C ? E ACX 1 C1C
162 1 N 1 . ACX 6 ? C2C ? E ACX 1 C2C
163 1 N 1 . ACX 6 ? C3C ? E ACX 1 C3C
164 1 N 1 . ACX 6 ? C4C ? E ACX 1 C4C
165 1 N 1 . ACX 6 ? C5C ? E ACX 1 C5C
166 1 N 1 . ACX 6 ? C6C ? E ACX 1 C6C
167 1 N 1 . ACX 6 ? O2C ? E ACX 1 O2C
168 1 N 1 . ACX 6 ? O3C ? E ACX 1 O3C
169 1 N 1 . ACX 6 ? O1B ? E ACX 1 O1B
170 1 N 1 . ACX 6 ? O5C ? E ACX 1 O5C
171 1 N 1 . ACX 6 ? O6C ? E ACX 1 O6C
172 1 N 1 . ACX 6 ? C1B ? E ACX 1 C1B
173 1 N 1 . ACX 6 ? C2B ? E ACX 1 C2B
174 1 N 1 . ACX 6 ? C3B ? E ACX 1 C3B
175 1 N 1 . ACX 6 ? C4B ? E ACX 1 C4B
176 1 N 1 . ACX 6 ? C5B ? E ACX 1 C5B
177 1 N 1 . ACX 6 ? C6B ? E ACX 1 C6B
178 1 N 1 . ACX 6 ? O2B ? E ACX 1 O2B
179 1 N 1 . ACX 6 ? O3B ? E ACX 1 O3B
180 1 N 1 . ACX 6 ? O5B ? E ACX 1 O5B
181 1 N 1 . ACX 6 ? O6B ? E ACX 1 O6B
182 1 N 1 . ACX 6 ? C3A ? E ACX 1 C3A
183 1 N 1 . ACX 6 ? C4A ? E ACX 1 C4A
184 1 N 1 . ACX 6 ? C5A ? E ACX 1 C5A
185 1 N 1 . ACX 6 ? C6A ? E ACX 1 C6A
186 1 N 1 . ACX 6 ? O2A ? E ACX 1 O2A
187 1 N 1 . ACX 6 ? O3A ? E ACX 1 O3A
188 1 N 1 . ACX 6 ? O1F ? E ACX 1 O1F
189 1 N 1 . ACX 6 ? O5A ? E ACX 1 O5A
190 1 N 1 . ACX 6 ? O6A ? E ACX 1 O6A
#
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
#
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 LRhapa1-2DGlcpa1-ROH
_pdbx_entity_branch_descriptor.type "Glycam Condensed Sequence"
_pdbx_entity_branch_descriptor.program GMML
_pdbx_entity_branch_descriptor.program_version 1.0
#
_pdbx_entity_branch_link.link_id 1
_pdbx_entity_branch_link.entity_id 1
_pdbx_entity_branch_link.entity_branch_list_num_1 2
_pdbx_entity_branch_link.comp_id_1 RAM
_pdbx_entity_branch_link.atom_id_1 C1
_pdbx_entity_branch_link.leaving_atom_id_1 O1
_pdbx_entity_branch_link.entity_branch_list_num_2 1
_pdbx_entity_branch_link.comp_id_2 GLC
_pdbx_entity_branch_link.atom_id_2 O2
_pdbx_entity_branch_link.leaving_atom_id_2 HO2
_pdbx_entity_branch_link.value_order sing
_pdbx_entity_branch_link.details ?
#
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
#
loop_
_pdbx_entity_nonpoly.entity_id
_pdbx_entity_nonpoly.name
_pdbx_entity_nonpoly.comp_id
2 ? ROH
3 "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" ACX
#
_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 . ? 22.190 10.010 7.630 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 22.360 10.810 8.970 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 21.500 10.240 10.070 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 20.040 10.000 9.640 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 19.940 9.190 8.320 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 18.460 9.030 7.890 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 23.810 10.630 9.460 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 21.410 11.160 11.240 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 19.260 9.310 10.620 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 20.800 9.800 7.280 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 18.170 10.100 6.990 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 22.630 9.020 7.800 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 22.240 11.890 8.920 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 21.940 9.300 10.390 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 19.530 10.910 9.320 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 20.310 8.170 8.320 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 18.340 8.120 7.300 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 17.750 8.980 8.720 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H6O . GLC A 1 . ? 18.060 10.840 7.590 1.00 0.00 ? 1 GLC ? H6O 1
HETATM 20 H H4O . GLC A 1 . ? 19.880 8.930 11.250 1.00 0.00 ? 1 GLC ? H4O 1
HETATM 21 H H3O . GLC A 1 . ? 22.220 11.330 11.720 1.00 0.00 ? 1 GLC ? H3O 1
HETATM 22 C C1 . RAM A 1 . ? 24.710 11.790 9.150 1.00 0.00 ? 2 RAM ? C1 1
HETATM 23 C C2 . RAM A 1 . ? 26.050 11.620 9.950 1.00 0.00 ? 2 RAM ? C2 1
HETATM 24 C C3 . RAM A 1 . ? 26.870 10.390 9.370 1.00 0.00 ? 2 RAM ? C3 1
HETATM 25 C C4 . RAM A 1 . ? 27.110 10.590 7.840 1.00 0.00 ? 2 RAM ? C4 1
HETATM 26 C C5 . RAM A 1 . ? 25.860 10.910 7.070 1.00 0.00 ? 2 RAM ? C5 1
HETATM 27 C C6 . RAM A 1 . ? 26.120 11.490 5.740 1.00 0.00 ? 2 RAM ? C6 1
HETATM 28 O O2 . RAM A 1 . ? 26.980 12.840 9.850 1.00 0.00 ? 2 RAM ? O2 1
HETATM 29 O O3 . RAM A 1 . ? 28.160 10.220 10.080 1.00 0.00 ? 2 RAM ? O3 1
HETATM 30 O O4 . RAM A 1 . ? 27.560 9.290 7.320 1.00 0.00 ? 2 RAM ? O4 1
HETATM 31 O O5 . RAM A 1 . ? 25.060 11.960 7.750 1.00 0.00 ? 2 RAM ? O5 1
HETATM 32 H H1 . RAM A 1 . ? 24.370 12.750 9.540 1.00 0.00 ? 2 RAM ? H1 1
HETATM 33 H H2 . RAM A 1 . ? 25.870 11.390 11.000 1.00 0.00 ? 2 RAM ? H2 1
HETATM 34 H H3 . RAM A 1 . ? 26.270 9.480 9.350 1.00 0.00 ? 2 RAM ? H3 1
HETATM 35 H H4 . RAM A 1 . ? 27.840 11.360 7.630 1.00 0.00 ? 2 RAM ? H4 1
HETATM 36 H H5 . RAM A 1 . ? 25.290 9.980 6.970 1.00 0.00 ? 2 RAM ? H5 1
HETATM 37 H H61 . RAM A 1 . ? 26.750 12.370 5.800 1.00 0.00 ? 2 RAM ? H61 1
HETATM 38 H H62 . RAM A 1 . ? 25.150 11.690 5.290 1.00 0.00 ? 2 RAM ? H62 1
HETATM 39 H H63 . RAM A 1 . ? 26.570 10.720 5.110 1.00 0.00 ? 2 RAM ? H63 1
HETATM 40 H HO1 . ROH B 2 . ? 22.920 10.130 5.840 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 41 O O1 . ROH B 2 . ? 22.710 10.730 6.550 1.00 0.00 ? 1 ROH ? O1 1
HETATM 42 O O1A . ACX C 3 . ? 28.360 12.860 11.660 1.00 0.00 ? 4 ACX ? O1A 1
HETATM 43 C C1A . ACX C 3 . ? 27.380 13.330 11.020 1.00 0.00 ? 4 ACX ? C1A 1
HETATM 44 C C2A . ACX C 3 . ? 26.490 14.460 11.520 1.00 0.00 ? 4 ACX ? C2A 1
HETATM 45 H H1A . ACX C 3 . ? 27.030 15.380 11.330 1.00 0.00 ? 4 ACX ? H1A 1
HETATM 46 H H2A . ACX C 3 . ? 26.340 14.420 12.600 1.00 0.00 ? 4 ACX ? H2A 1
HETATM 47 H H3A . ACX C 3 . ? 25.470 14.460 11.120 1.00 0.00 ? 4 ACX ? H3A 1
HETATM 48 O O1A . ACX D 3 . ? 27.760 7.960 10.460 1.00 0.00 ? 5 ACX ? O1A 1
HETATM 49 C C1A . ACX D 3 . ? 28.260 9.070 10.750 1.00 0.00 ? 5 ACX ? C1A 1
HETATM 50 C C2A . ACX D 3 . ? 29.150 9.290 11.960 1.00 0.00 ? 5 ACX ? C2A 1
HETATM 51 H H1A . ACX D 3 . ? 30.180 9.090 11.660 1.00 0.00 ? 5 ACX ? H1A 1
HETATM 52 H H2A . ACX D 3 . ? 28.880 8.630 12.790 1.00 0.00 ? 5 ACX ? H2A 1
HETATM 53 H H3A . ACX D 3 . ? 29.130 10.260 12.450 1.00 0.00 ? 5 ACX ? H3A 1
HETATM 54 O O1A . ACX E 3 . ? 29.050 9.810 5.630 1.00 0.00 ? 6 ACX ? O1A 1
HETATM 55 C C1A . ACX E 3 . ? 28.700 9.150 6.640 1.00 0.00 ? 6 ACX ? C1A 1
HETATM 56 C C2A . ACX E 3 . ? 29.680 8.200 7.260 1.00 0.00 ? 6 ACX ? C2A 1
HETATM 57 H H1A . ACX E 3 . ? 29.210 7.540 8.000 1.00 0.00 ? 6 ACX ? H1A 1
HETATM 58 H H2A . ACX E 3 . ? 30.420 8.840 7.740 1.00 0.00 ? 6 ACX ? H2A 1
HETATM 59 H H3A . ACX E 3 . ? 30.120 7.400 6.670 1.00 0.00 ? 6 ACX ? H3A 1
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