Receptor
PDB id Resolution Class Description Source Keywords
5F7Y 2.44 Å NON-ENZYME: BINDING BLOOD GROUP ANTIGEN BINDING ADHESIN BABA OF HELICOBACTER PYL 17875 IN COMPLEX WITH BLOOD GROUP A TYPE-1 HEXASACCHARIDE HELICOBACTER PYLORI CELL ADHESION ADHESIN LECTIN NANOBODY COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO POLYMORPHIC ABO GLYCAN BIN HELICOBACTER PYLORI. CELL HOST MICROBE V. 19 55 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GAL NAG GAL FUC A2G F:1;
E:1;
 Valid;
Valid;
 none;
none;
 submit data
1056.97 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F7Y 2.44 Å NON-ENZYME: BINDING BLOOD GROUP ANTIGEN BINDING ADHESIN BABA OF HELICOBACTER PYL 17875 IN COMPLEX WITH BLOOD GROUP A TYPE-1 HEXASACCHARIDE HELICOBACTER PYLORI CELL ADHESION ADHESIN LECTIN NANOBODY COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO POLYMORPHIC ABO GLYCAN BIN HELICOBACTER PYLORI. CELL HOST MICROBE V. 19 55 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 5F7Y - GLC GAL NAG GAL FUC A2G n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 5F7Y - GLC GAL NAG GAL FUC A2G n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5F7Y - GLC GAL NAG GAL FUC A2G n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GAL NAG GAL FUC A2G; Similar ligands found: 213
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GAL NAG GAL FUC A2G 1 1
2 A2G GAL NAG FUC GAL GLC 1 1
3 GLA GAL NAG FUC GAL GLC 0.880435 0.938776
4 A2G GAL BGC FUC 0.833333 0.938776
5 A2G GAL GLC FUC 0.833333 0.938776
6 GAL GLC NAG GAL FUC 0.787234 0.938776
7 FUC GAL NAG GAL BGC 0.787234 0.938776
8 GLC NAG GAL GAL FUC 0.787234 0.938776
9 NAG GAL BGC 0.719101 0.918367
10 NGA GLA GAL BGC 0.698925 0.918367
11 BGC FUC GAL FUC A2G 0.690722 0.959184
12 GLC FUC GAL FUC A2G 0.690722 0.959184
13 BGC GAL NAG GAL 0.684783 0.918367
14 GAL NAG GAL GLC 0.684783 0.918367
15 A2G GAL NAG FUC 0.683673 1
16 FUC GAL NAG A2G 0.683673 1
17 FUC BGC GAL NAG 0.680412 0.938776
18 GLC GAL NAG GAL FUC FUC 0.669903 0.959184
19 BGC GAL NAG GAL FUC FUC 0.669903 0.959184
20 GAL NGA GLA BGC GAL 0.65625 0.918367
21 NAG GAL FUC FUC A2G 0.637255 1
22 FUC GAL NAG A2G FUC 0.637255 1
23 BGC GLA GAL FUC 0.634409 0.693878
24 LAT NAG GAL 0.618557 0.918367
25 GLC GAL NAG GAL 0.618557 0.918367
26 FUC BGC GAL NAG GAL 0.609524 0.938776
27 NGA GAL BGC 0.585106 0.918367
28 NGA GAL FUC 0.583333 0.938776
29 FUC GLA A2G 0.583333 0.938776
30 FUC GAL A2G 0.583333 0.938776
31 A2G GLA FUC 0.583333 0.938776
32 A2G GAL FUC 0.583333 0.938776
33 NAG GAL NAG 0.57732 0.979592
34 BGA 0.551402 0.824561
35 GAL NGA A2G 0.541667 0.979592
36 GAL BGC NAG NAG GAL GAL 0.522523 0.979592
37 8B7 0.515789 0.693878
38 FUC GAL GLC 0.515789 0.693878
39 FUC GAL GLC BGC 0.515789 0.693878
40 LAT FUC 0.515789 0.693878
41 GLC GAL FUC 0.515789 0.693878
42 BGC GAL FUC 0.515789 0.693878
43 NAG GAL GAL NAG GAL 0.514563 0.979592
44 GAL NAG GAL NAG GAL NAG 0.514563 1
45 NAG GAL GAL NAG 0.514563 0.979592
46 GAL NAG GAL FUC 0.5 0.901961
47 GLA NAG GAL FUC 0.5 0.938776
48 GLA GAL GAL 0.5 0.673469
49 SIA GAL BGC NGA GAL FUC 0.49635 0.942308
50 FUC GAL NAG GAL FUC 0.495413 0.959184
51 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.491228 0.98
52 DR3 0.490196 0.938776
53 NAG MAN BMA NDG MAN NAG GAL 0.487603 1
54 NAG MAN BMA 0.485149 0.918367
55 NAG NAG BMA MAN MAN NAG GAL NAG 0.483607 1
56 M5G 0.483607 0.979592
57 GAL NAG GAL BGC 0.481481 0.882353
58 DR2 0.480392 0.938776
59 FUC GAL NDG 0.480392 0.938776
60 GAL NAG FUC 0.480392 0.938776
61 FUC GAL NAG 0.480392 0.938776
62 NAG GAL FUC 0.480392 0.938776
63 FUL GAL NAG 0.480392 0.938776
64 NDG GAL FUC 0.480392 0.938776
65 NAG MAN MMA 0.480392 0.92
66 GLA GAL NAG 0.48 0.918367
67 MAN BMA NAG 0.48 0.918367
68 NAG MBG 0.479167 0.92
69 BGC BGC BGC BGC BGC BGC BGC BGC 0.479167 0.673469
70 NAG BMA NAG MAN MAN NAG NAG 0.466667 1
71 NAG MAN BMA MAN NAG GAL 0.462185 0.979592
72 FUC C4W NAG BMA MAN 0.459016 0.942308
73 SIA GAL NGA GLA GAL BGC 0.458647 0.942308
74 NAG FUC 0.453608 0.897959
75 NAG BDP NAG BDP NAG BDP NAG 0.451327 0.98
76 FUC C4W NAG BMA MAN MAN NAG NAG 0.451128 0.942308
77 NDG NAG 0.44898 0.979592
78 CBS CBS 0.44898 0.979592
79 NAG A2G 0.44898 0.979592
80 NAG NGA 0.44898 0.979592
81 NAG GDL 0.44898 0.979592
82 CBS 0.44898 0.979592
83 GLA MAN RAM RAM ABE MAN GLA 0.447154 0.705882
84 NAG BMA MAN MAN NAG GAL NAG GAL 0.446281 1
85 MAN BMA NAG NAG MAN NAG GAL GAL 0.446281 1
86 NAG MAN MAN MAN NAG GAL NAG GAL 0.446281 1
87 FUC C4W NAG BMA MAN MAN NAG 0.444444 0.942308
88 MBG A2G 0.444444 0.92
89 A2G MBG 0.444444 0.92
90 FUC NAG GAL 0.442308 0.938776
91 FUC NDG GAL 0.442308 0.938776
92 GAL NDG FUC 0.442308 0.938776
93 SIA GAL NAG GAL GLC 0.441176 0.924528
94 BGC GAL NAG SIA GAL 0.441176 0.924528
95 SIA GAL NAG GAL BGC 0.441176 0.924528
96 BDZ 0.439252 0.959184
97 BCW 0.439252 0.959184
98 FUC GAL NAG FUC 0.439252 0.959184
99 GAL NDG FUC FUC 0.439252 0.959184
100 FUC NDG GAL FUC 0.439252 0.959184
101 FUC NAG GAL FUC 0.439252 0.959184
102 FUC GAL NDG FUC 0.439252 0.959184
103 GAL NAG FUC FUC 0.439252 0.959184
104 NAG NAG BMA MAN 0.438596 0.90566
105 FUC GLC BGC GAL 0.434343 0.693878
106 FUC BGC GAL 0.434343 0.693878
107 NAG NAG NAG NAG 0.431373 1
108 NDG NAG NAG 0.431373 1
109 NAG NAG NDG NAG 0.431373 1
110 CTO 0.431373 1
111 NAG NAG NAG NAG NAG 0.431373 1
112 NAG NAG NAG NDG 0.431373 1
113 NAG NAG NAG NAG NAG NAG NAG NAG 0.431373 1
114 NDG NAG NAG NAG 0.431373 1
115 NAG NAG NAG NAG NDG 0.431373 1
116 NAG NAG NAG NAG NAG NAG 0.431373 1
117 NDG NAG NAG NDG 0.431373 1
118 NAG NAG NDG 0.431373 1
119 1GN ACY GAL ACY 1GN BGC GAL BGC 0.431034 0.979592
120 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.431034 0.979592
121 GAL NAG MAN 0.428571 0.918367
122 MAG FUC GAL 0.428571 0.94
123 SIA GAL BGC NGA GAL 0.426471 0.942308
124 GAL NGA SIA GAL BGC 0.426471 0.942308
125 GAL NGA GAL BGC SIA 0.426471 0.942308
126 BGC GAL SIA NGA GAL 0.426471 0.942308
127 NAG MAN MAN 0.425926 0.918367
128 NAG MAN MAN MAN NAG 0.424779 0.979592
129 FUC GAL GLA 0.424242 0.693878
130 GLA GAL FUC 0.424242 0.693878
131 FUC GLA GLA 0.424242 0.693878
132 GLA GLA FUC 0.424242 0.693878
133 GAL GAL FUC 0.424242 0.693878
134 SIA GAL BGC NGA 0.421053 0.942308
135 GAL BGC SIA NGA 0.421053 0.942308
136 BGC GAL SIA NGA 0.421053 0.942308
137 NAG GAL BGC SIA 0.421053 0.942308
138 NAG NAG BMA MAN MAN 0.420168 0.979592
139 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.418605 0.979592
140 NAG NAG BMA MAN MAN NAG NAG 0.418605 0.924528
141 GAL BGC 0.417582 0.673469
142 GLC GAL 0.417582 0.673469
143 LAT 0.417582 0.673469
144 BMA GAL 0.417582 0.673469
145 B2G 0.417582 0.673469
146 N9S 0.417582 0.673469
147 CBI 0.417582 0.673469
148 BMA BMA 0.417582 0.673469
149 BGC BMA 0.417582 0.673469
150 MAB 0.417582 0.673469
151 MAL 0.417582 0.673469
152 BGC GAL 0.417582 0.673469
153 CBK 0.417582 0.673469
154 LBT 0.417582 0.673469
155 MAN MAN NAG 0.416667 0.882353
156 GLA MAN RAM ABE 0.415929 0.686275
157 NAG NAG FUL BMA MAN MAN NAG GAL 0.414815 0.924528
158 ABD 0.410714 0.897959
159 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409836 0.918367
160 NAG BMA MAN MAN MAN MAN MAN 0.409836 0.918367
161 FUC NAG 0.407767 0.849057
162 NAG BMA MAN MAN MAN MAN MAN MAN 0.406504 0.918367
163 FUC NAG GLA GAL 0.405172 0.92
164 GAL MGC 0.40404 0.92
165 NLC 0.40404 0.918367
166 GAL NDG 0.40404 0.918367
167 BMA Z4Y NAG 0.403509 0.9
168 ACG 0.401639 0.807692
169 CTR 0.4 0.673469
170 CEX 0.4 0.673469
171 SIA GAL SIA BGC NGA 0.4 0.924528
172 MAN BMA BMA BMA BMA BMA 0.4 0.673469
173 GLC BGC GLC 0.4 0.673469
174 CEY 0.4 0.673469
175 GLC GLC GLC GLC GLC 0.4 0.673469
176 B4G 0.4 0.673469
177 MTT 0.4 0.673469
178 BMA BMA BMA 0.4 0.673469
179 GLA GAL GLC 0.4 0.673469
180 CE5 0.4 0.673469
181 MAN MAN BMA BMA BMA BMA 0.4 0.673469
182 GAL GAL GAL 0.4 0.673469
183 GLC BGC BGC 0.4 0.673469
184 BGC GLC GLC GLC 0.4 0.673469
185 DXI 0.4 0.673469
186 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.673469
187 SIA GAL SIA GLC NGA 0.4 0.924528
188 BGC BGC BGC BGC 0.4 0.673469
189 BGC BGC BGC 0.4 0.673469
190 GLC BGC BGC BGC 0.4 0.673469
191 BGC GLC GLC GLC GLC 0.4 0.673469
192 MAN BMA BMA BMA BMA 0.4 0.673469
193 BMA BMA BMA BMA BMA BMA 0.4 0.673469
194 BGC GLC GLC 0.4 0.673469
195 WZ5 0.4 0.92
196 CTT 0.4 0.673469
197 BGB 0.4 0.614035
198 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.673469
199 BMA BMA BMA BMA BMA 0.4 0.673469
200 BGC BGC GLC 0.4 0.673469
201 BMA MAN BMA 0.4 0.673469
202 CE6 0.4 0.673469
203 MLR 0.4 0.673469
204 GLC BGC BGC BGC BGC BGC 0.4 0.673469
205 CE8 0.4 0.673469
206 GLC BGC BGC BGC BGC 0.4 0.673469
207 GLA GAL BGC 0.4 0.673469
208 MT7 0.4 0.673469
209 BGC BGC BGC GLC 0.4 0.673469
210 BGC GLC GLC GLC GLC GLC GLC 0.4 0.673469
211 CT3 0.4 0.673469
212 MAN BMA BMA 0.4 0.673469
213 GLC GAL GAL 0.4 0.673469
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F7Y; Ligand: GLC GAL NAG GAL FUC A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5f7y.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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