Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG GAL FUC FUC A2G F:1;
E:1;
Valid;
Valid;
none;
none;
submit data
878.828 n/a O=C(N...
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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 544 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 420 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 319 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: NAG GAL FUC FUC A2G; Similar ligands found: 139
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL FUC FUC A2G 1 1
2 FUC GAL NAG A2G FUC 0.95 1
3 GLC FUC GAL FUC A2G 0.77907 0.959184
4 BGC FUC GAL FUC A2G 0.77907 0.959184
5 FUC GAL NAG A2G 0.770115 1
6 A2G GAL NAG FUC 0.770115 1
7 A2G GAL BGC FUC 0.730337 0.938776
8 A2G GAL GLC FUC 0.730337 0.938776
9 BCW 0.702381 0.959184
10 FUC NAG GAL FUC 0.702381 0.959184
11 GAL NDG FUC 0.674699 0.938776
12 FUC NDG GAL 0.674699 0.938776
13 FUC NAG GAL 0.674699 0.938776
14 GAL NDG FUC FUC 0.662791 0.959184
15 FUC NDG GAL FUC 0.662791 0.959184
16 GAL NAG FUC FUC 0.662791 0.959184
17 FUC GAL NAG FUC 0.662791 0.959184
18 BDZ 0.662791 0.959184
19 FUC GAL NDG FUC 0.662791 0.959184
20 FUC GAL A2G 0.658824 0.938776
21 NGA GAL FUC 0.658824 0.938776
22 FUC GLA A2G 0.658824 0.938776
23 A2G GAL FUC 0.658824 0.938776
24 A2G GLA FUC 0.658824 0.938776
25 GLC GAL NAG GAL FUC A2G 0.637255 1
26 A2G GAL NAG FUC GAL GLC 0.637255 1
27 FUC BGC GAL NAG 0.634409 0.938776
28 BGA 0.614583 0.824561
29 NAG NGA 0.559524 0.979592
30 NAG A2G 0.559524 0.979592
31 DR3 0.549451 0.938776
32 GLA GAL NAG FUC GAL GLC 0.542857 0.938776
33 FUC GAL NAG GAL FUC 0.535354 0.959184
34 NAG MUB 0.531915 0.98
35 NAG AMU 0.531915 0.98
36 FUL GAL NAG 0.521739 0.938776
37 DR2 0.521739 0.938776
38 FUC GAL NDG 0.521739 0.938776
39 FUC GAL NAG 0.521739 0.938776
40 NAG GAL FUC 0.521739 0.938776
41 GAL NAG FUC 0.521739 0.938776
42 NDG GAL FUC 0.521739 0.938776
43 FUC BGC GAL NAG GAL 0.519231 0.938776
44 BGC GLA GAL FUC 0.516129 0.693878
45 MAG FUC GAL 0.51087 0.94
46 GLA NAG GAL FUC 0.510204 0.938776
47 NDG NAG 0.505747 0.979592
48 CBS CBS 0.505747 0.979592
49 NAG GDL 0.505747 0.979592
50 CBS 0.505747 0.979592
51 BGC GAL NAG GAL FUC FUC 0.504673 0.959184
52 GLC GAL NAG GAL FUC FUC 0.504673 0.959184
53 NAG GAL NAG 0.494737 0.979592
54 NAG FUC 0.494253 0.897959
55 GAL NGA A2G 0.48913 0.979592
56 NAG BDP NAG BDP NAG BDP NAG 0.485437 0.98
57 NDG NAG NAG 0.483516 1
58 NAG NAG NAG NAG NAG NAG 0.483516 1
59 NAG NAG NAG NAG NAG 0.483516 1
60 CTO 0.483516 1
61 NAG NAG NAG NAG NDG 0.483516 1
62 NDG NAG NAG NAG 0.483516 1
63 NAG NAG NAG NAG NAG NAG NAG NAG 0.483516 1
64 NAG NAG NDG 0.483516 1
65 NAG NAG NAG NDG 0.483516 1
66 NAG NAG NDG NAG 0.483516 1
67 NAG NAG NAG NAG 0.483516 1
68 NDG NAG NAG NDG 0.483516 1
69 NAG MAN BMA 0.478723 0.918367
70 FUC GLC BGC GAL 0.47191 0.693878
71 FUC BGC GAL 0.47191 0.693878
72 NAG AMU ALA DGL 0.469027 0.907407
73 NGA GAL BGC 0.468085 0.918367
74 FUC GAL NAG GAL BGC 0.46729 0.938776
75 GAL GLC NAG GAL FUC 0.46729 0.938776
76 GLC NAG GAL GAL FUC 0.46729 0.938776
77 GAL NAG GAL FUC 0.466019 0.901961
78 NAG MU2 0.464912 0.890909
79 NAG GAL BGC 0.463918 0.918367
80 NDG FUC SIA GAL 0.46281 0.942308
81 SIA GAL NAG FUC 0.46281 0.942308
82 FUC NDG GAL SIA 0.46281 0.942308
83 SIA GLA NAG FUC 0.46281 0.942308
84 SIA GAL NDG FUC 0.46281 0.942308
85 NAG FUC SIA GAL 0.46281 0.942308
86 FUC NAG GLA GAL 0.461538 0.92
87 NAG MAN MMA 0.458333 0.92
88 FUC NAG 0.456522 0.849057
89 NAG MBG 0.455556 0.92
90 NGA GLA GAL BGC 0.455446 0.918367
91 SGA MAG FUC 0.451923 0.712121
92 A2G MBG 0.450549 0.92
93 MBG A2G 0.450549 0.92
94 MAN MAN NAG 0.44898 0.882353
95 NGA GAL 0.445652 0.862745
96 FUC GLA GLA 0.444444 0.693878
97 GAL GAL FUC 0.444444 0.693878
98 GLA GAL FUC 0.444444 0.693878
99 GLA GLA FUC 0.444444 0.693878
100 FUC GAL GLA 0.444444 0.693878
101 NAG A2G GAL 0.44 0.979592
102 GAL A2G 0.438202 0.918367
103 GAL NAG 0.438202 0.918367
104 NAG GAL 0.438202 0.918367
105 GAL NGA 0.438202 0.918367
106 NAG NM9 0.434343 0.960784
107 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.432432 0.98
108 NAG MAN MAN 0.43 0.918367
109 G4S MAG FUC 0.428571 0.712121
110 NAG MAN MAN MAN NAG 0.428571 0.979592
111 3QL 0.42268 0.90566
112 NAG BMA NAG MAN MAN NAG NAG 0.422414 1
113 NAG GAL GAL NAG 0.421569 0.979592
114 GAL NAG GAL NAG GAL NAG 0.421569 1
115 NAG NDG 0.421053 0.886792
116 NAG NAG 0.421053 0.886792
117 NAG MAN BMA NDG MAN NAG GAL 0.420168 1
118 NAG MAN BMA MAN NAG GAL 0.417391 0.979592
119 M5G 0.416667 0.979592
120 NAG NAG BMA MAN MAN NAG GAL NAG 0.416667 1
121 FUC GAL NAG NON FUC 0.415929 0.857143
122 BGB 0.415842 0.614035
123 FUC GAL GLC BGC 0.414894 0.693878
124 8B7 0.414894 0.693878
125 GLC GAL FUC 0.414894 0.693878
126 NAG MAN 0.414894 0.959184
127 FUC GAL GLC 0.414894 0.693878
128 LAT FUC 0.414894 0.693878
129 BGC GAL FUC 0.414894 0.693878
130 MMA MAN NAG MAN NAG NAG 0.407407 0.98
131 NLC 0.406593 0.918367
132 GAL NDG 0.406593 0.918367
133 NAG NAG NAG 0.405941 0.924528
134 BMA Z4Y NAG 0.40566 0.9
135 LEC NGA 0.40566 0.765625
136 Z4S NAG NAG 0.403846 0.924528
137 WZ5 0.401786 0.92
138 FUC C4W NAG BMA MAN MAN NAG NAG 0.4 0.942308
139 FUC C4W NAG BMA MAN NAG 0.4 0.942308
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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