Receptor
PDB id Resolution Class Description Source Keywords
5F9A 2.44 Å NON-ENZYME: BINDING BLOOD GROUP ANTIGEN BINDING ADHESIN BABA OF HELICOBACTER PYL P436 IN COMPLEX WITH BLOOD GROUP H LEWIS B HEXASACCHARIDE HELICOBACTER PYLORI ADHESIN LECTIN NANOBODY COMPLEX CELL ADHESION
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 FUC A:1001;
Valid;
none;
submit data
999.916 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F7N 2.28 Å NON-ENZYME: BINDING BLOOD GROUP ANTIGEN BINDING ADHESIN BABA OF HELICOBACTER PYL 17875 IN COMPLEX WITH BLOOD GROUP A LEWIS B PENTASACCHARIDE HELICOBACTER PYLORI ADHESIN LECTIN NANOBODY COMPLEX CELL ADHESION
Ref.: STRUCTURAL INSIGHTS INTO POLYMORPHIC ABO GLYCAN BIN HELICOBACTER PYLORI. CELL HOST MICROBE V. 19 55 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5F7N - NAG GAL FUC FUC A2G n/a n/a
2 5F9A - GLC GAL NAG GAL FUC FUC n/a n/a
3 5F8R - BGC GAL NAG GAL FUC FUC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5F7N - NAG GAL FUC FUC A2G n/a n/a
2 5F9A - GLC GAL NAG GAL FUC FUC n/a n/a
3 5F8R - BGC GAL NAG GAL FUC FUC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5F7N - NAG GAL FUC FUC A2G n/a n/a
2 5F9A - GLC GAL NAG GAL FUC FUC n/a n/a
3 5F8R - BGC GAL NAG GAL FUC FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GAL NAG GAL FUC FUC; Similar ligands found: 206
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL NAG GAL FUC FUC 1 1
2 GLC GAL NAG GAL FUC FUC 1 1
3 GAL GLC NAG GAL FUC 0.840909 0.978723
4 FUC GAL NAG GAL BGC 0.840909 0.978723
5 GLC NAG GAL GAL FUC 0.840909 0.978723
6 FUC GAL NAG GAL FUC 0.764045 1
7 GLA GAL NAG FUC GAL GLC 0.704082 0.978723
8 GLC GAL NAG GAL FUC A2G 0.669903 0.959184
9 A2G GAL NAG FUC GAL GLC 0.669903 0.959184
10 GLA NAG GAL FUC 0.663043 0.978723
11 GAL NAG GAL FUC 0.663043 0.978723
12 BGC GAL NAG GAL 0.655556 0.957447
13 GAL NAG GAL GLC 0.655556 0.957447
14 FUC BGC GAL NAG GAL 0.646465 0.978723
15 8B7 0.642857 0.723404
16 LAT FUC 0.642857 0.723404
17 BGC GAL FUC 0.642857 0.723404
18 GLC GAL FUC 0.642857 0.723404
19 FUC GAL GLC 0.642857 0.723404
20 GLC GAL NAG GAL 0.641304 0.957447
21 LAT NAG GAL 0.641304 0.957447
22 GAL NGA GLA BGC GAL 0.62766 0.957447
23 BCW 0.626374 1
24 FUC NAG GAL FUC 0.626374 1
25 NAG GAL BGC 0.615385 0.957447
26 FUC BGC GAL NAG 0.602041 0.978723
27 NGA GLA GAL BGC 0.6 0.957447
28 FUC GAL NDG 0.593407 0.978723
29 FUL GAL NAG 0.593407 0.978723
30 DR2 0.593407 0.978723
31 NAG GAL FUC 0.593407 0.978723
32 NDG GAL FUC 0.593407 0.978723
33 GAL NAG FUC 0.593407 0.978723
34 FUC GAL NAG 0.593407 0.978723
35 GAL NAG FUC FUC 0.591398 1
36 FUC NDG GAL FUC 0.591398 1
37 FUC GAL NAG FUC 0.591398 1
38 GAL NDG FUC FUC 0.591398 1
39 FUC GAL NDG FUC 0.591398 1
40 BDZ 0.591398 1
41 A2G GAL BGC FUC 0.59 0.978723
42 DR3 0.553191 0.978723
43 BGC GLA GAL FUC 0.553191 0.723404
44 MAG FUC GAL 0.548387 0.979167
45 FUC NAG GLA GAL 0.539216 0.958333
46 GLA GAL GAL 0.534884 0.702128
47 FUC NDG GAL 0.531915 0.978723
48 GAL NDG FUC 0.531915 0.978723
49 NAG GAL GAL NAG GAL 0.530612 0.938776
50 NAG GAL GAL NAG 0.530612 0.938776
51 GAL NAG GAL NAG GAL NAG 0.530612 0.959184
52 MAN BMA NAG 0.526882 0.957447
53 GLA GAL NAG 0.526882 0.957447
54 FUC GAL NAG NON FUC 0.513761 0.854545
55 BGC BGC BGC BGC BGC BGC BGC BGC 0.511111 0.702128
56 NAG GAL FUC FUC A2G 0.504673 0.959184
57 NAG FUC 0.5 0.93617
58 NAG GAL NAG 0.5 0.938776
59 SGA MAG FUC 0.5 0.707692
60 NAG MAN MAN MAN NAG GAL NAG GAL 0.495575 0.959184
61 MAN BMA NAG NAG MAN NAG GAL GAL 0.495575 0.959184
62 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.495495 0.957447
63 GAL NAG GAL BGC 0.495146 0.918367
64 GLC FUC GAL FUC A2G 0.490566 1
65 BGC FUC GAL FUC A2G 0.490566 1
66 NGA GAL BGC 0.489583 0.957447
67 A2G GAL NAG FUC 0.485981 0.959184
68 FUC GAL NAG A2G 0.485981 0.959184
69 FUC BGC GAL 0.478261 0.723404
70 FUC GAL NAG A2G FUC 0.477064 0.959184
71 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.475 0.938776
72 NAG MAN BMA NDG MAN NAG GAL 0.474576 0.959184
73 MAN MAN MAN GLC 0.473118 0.702128
74 NAG NAG BMA MAN MAN NAG GAL NAG 0.470588 0.959184
75 FUC C4W NAG BMA MAN 0.470085 0.903846
76 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.464286 0.94
77 G4S MAG FUC 0.462264 0.707692
78 M5G 0.458333 0.938776
79 NAG NAG FUL BMA MAN MAN NAG GAL 0.456693 0.886792
80 NAG MAN BMA 0.454545 0.957447
81 GAL NAG MAN 0.454545 0.957447
82 NAG BMA NAG MAN MAN NAG NAG 0.452991 0.959184
83 SIA GAL NAG GAL GLC 0.450382 0.886792
84 BGC GAL NAG SIA GAL 0.450382 0.886792
85 SIA GAL NAG GAL BGC 0.450382 0.886792
86 NAG MAN MMA 0.45 0.958333
87 NAG NAG BMA MAN 0.449541 0.867925
88 NAG MAN BMA MAN NAG GAL 0.448276 0.938776
89 GLA GAL 0.447059 0.702128
90 B2G 0.447059 0.702128
91 BGC BMA 0.447059 0.702128
92 MAL 0.447059 0.702128
93 N9S 0.447059 0.702128
94 GLC GAL 0.447059 0.702128
95 BGC GAL 0.447059 0.702128
96 LBT 0.447059 0.702128
97 CBK 0.447059 0.702128
98 BMA GAL 0.447059 0.702128
99 MAB 0.447059 0.702128
100 GLA GLA 0.447059 0.702128
101 GAL BGC 0.447059 0.702128
102 CBI 0.447059 0.702128
103 LAT 0.447059 0.702128
104 SIA GAL BGC NGA GAL 0.446154 0.903846
105 BGC GAL SIA NGA GAL 0.446154 0.903846
106 GAL NGA SIA GAL BGC 0.446154 0.903846
107 GAL NGA GAL BGC SIA 0.446154 0.903846
108 NDG GAL 0.445652 0.957447
109 NLC 0.445652 0.957447
110 GAL NDG 0.445652 0.957447
111 FUC GAL A2G 0.445545 0.978723
112 FUC GLA A2G 0.445545 0.978723
113 A2G GLA FUC 0.445545 0.978723
114 A2G GAL FUC 0.445545 0.978723
115 NGA GAL FUC 0.445545 0.978723
116 FUC NAG GAL 0.445545 0.901961
117 NAG NAG BMA MAN MAN MAN MAN 0.443548 0.867925
118 FUC C4W NAG BMA MAN MAN NAG NAG 0.438462 0.903846
119 XYS GAL FUC 0.434343 0.708333
120 GLA MAN RAM RAM ABE MAN GLA 0.433333 0.734694
121 FUC C4W NAG BMA MAN MAN NAG 0.431818 0.903846
122 BMA MAN MAN MAN 0.430108 0.702128
123 NAG NAG BMA MAN MAN 0.429825 0.938776
124 MAN MAN BMA BMA BMA BMA 0.426966 0.702128
125 GLC BGC BGC BGC 0.426966 0.702128
126 BGC BGC BGC GLC 0.426966 0.702128
127 GLC BGC BGC BGC BGC 0.426966 0.702128
128 BGC BGC BGC 0.426966 0.702128
129 CE6 0.426966 0.702128
130 BGC BGC GLC 0.426966 0.702128
131 MAN BMA BMA 0.426966 0.702128
132 MLR 0.426966 0.702128
133 MAN BMA BMA BMA BMA 0.426966 0.702128
134 BMA BMA BMA BMA BMA 0.426966 0.702128
135 MTT 0.426966 0.702128
136 GLA GAL BGC 0.426966 0.702128
137 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.426966 0.702128
138 BGC GLC GLC GLC GLC GLC GLC 0.426966 0.702128
139 BMA MAN BMA 0.426966 0.702128
140 CTR 0.426966 0.702128
141 CE5 0.426966 0.702128
142 MT7 0.426966 0.702128
143 BGC BGC BGC BGC BGC 0.426966 0.702128
144 GLC GLC GLC GLC GLC 0.426966 0.702128
145 BMA BMA BMA 0.426966 0.702128
146 GLC GAL GAL 0.426966 0.702128
147 GLC BGC BGC BGC BGC BGC 0.426966 0.702128
148 BGC GLC GLC 0.426966 0.702128
149 CEX 0.426966 0.702128
150 MAN BMA BMA BMA BMA BMA 0.426966 0.702128
151 DXI 0.426966 0.702128
152 BGC GLC GLC GLC GLC 0.426966 0.702128
153 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.426966 0.702128
154 GLC BGC BGC 0.426966 0.702128
155 GLA GAL GLC 0.426966 0.702128
156 GLC BGC GLC 0.426966 0.702128
157 B4G 0.426966 0.702128
158 BGC BGC BGC BGC 0.426966 0.702128
159 CT3 0.426966 0.702128
160 CEY 0.426966 0.702128
161 GLC GLC BGC 0.426966 0.702128
162 BGC BGC BGC BGC BGC BGC 0.426966 0.702128
163 CTT 0.426966 0.702128
164 BMA BMA BMA BMA BMA BMA 0.426966 0.702128
165 GAL GAL GAL 0.426966 0.702128
166 BGC GLC GLC GLC 0.426966 0.702128
167 CE8 0.426966 0.702128
168 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.425 0.882353
169 ABD 0.420561 0.93617
170 FUC NAG 0.418367 0.882353
171 BGC GAL SIA SIA GAL NGA 0.416667 0.903846
172 BGC GAL SIA NGA GAL SIA 0.416667 0.903846
173 NAG BMA MAN MAN MAN MAN 0.415929 0.957447
174 SLT 0.411765 0.92
175 OPM MAN MAN 0.411765 0.62963
176 FUC GAL 0.411111 0.702128
177 SIA GAL MAG FUC 0.410853 0.867925
178 ACG 0.410256 0.84
179 GAL BGC NAG GAL 0.409524 0.957447
180 GLA GAL FUC 0.40625 0.723404
181 GAL GAL FUC 0.40625 0.723404
182 FUC GLA GLA 0.40625 0.723404
183 FUC GAL GLA 0.40625 0.723404
184 GLA GLA FUC 0.40625 0.723404
185 GAL NGA A2G 0.405941 0.938776
186 FUC C4W NAG BMA 0.405172 0.903846
187 GLA GLC SIA 0.404959 0.901961
188 SIA GAL BGC 0.404959 0.901961
189 BGC SIA GAL 0.404959 0.901961
190 GAL BGC SIA 0.404959 0.901961
191 SIA GAL GLC 0.404959 0.901961
192 BGC GAL SIA 0.404959 0.901961
193 NAG NAG BMA MAN MAN NAG NAG 0.404762 0.886792
194 1GN ACY GAL ACY 1GN BGC GAL BGC 0.403509 0.938776
195 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.403509 0.938776
196 BMA BMA MAN 0.402174 0.702128
197 MAN MAN BMA 0.402174 0.702128
198 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.401709 0.792453
199 SIA GAL NDG FUC 0.4 0.903846
200 NAG FUC SIA GAL 0.4 0.903846
201 NDG FUC SIA GAL 0.4 0.903846
202 8VZ 0.4 0.92
203 GAL MGC 0.4 0.958333
204 FUC NDG GAL SIA 0.4 0.903846
205 SIA GLA NAG FUC 0.4 0.903846
206 SIA GAL NAG FUC 0.4 0.903846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F7N; Ligand: NAG GAL FUC 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: 5f7n.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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