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 552 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 426 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 322 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 (2D)
Ligand no: 1; Ligand: NAG GAL FUC FUC A2G; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL FUC FUC A2G 1 1
2 NAG FUC GAL FUC A2G 0.95 1
3 BGC FUC GAL FUC A2G 0.77907 0.959184
4 BGC GAL FUC A2G 0.730337 0.938776
5 NAG GAL FUC FUC 0.702381 0.959184
6 NAG FUC GAL 0.674699 0.938776
7 NDG FUC GAL FUC 0.662791 0.959184
8 GAL FUC A2G 0.658824 0.938776
9 GLC GAL NAG GAL FUC A2G 0.637255 1
10 BGC FUC GAL NAG 0.634409 0.938776
11 NAG GAL FUC GLA 0.619565 0.938776
12 HSH A2G FUC 0.610526 0.824561
13 MAG SGA FUC 0.589474 0.723077
14 NDG NAG GLA NAG GLC RAM 0.570093 1
15 NDG GLA NAG GLC RAM 0.570093 1
16 A2G NAG 0.559524 0.979592
17 NDG GLA GLC NAG GLC RAM 0.554545 1
18 NAG GAL FUC 0.549451 0.938776
19 GLC GAL NAG GAL FUC GLA 0.542857 0.938776
20 MAG GAL FUC FUC 0.537634 0.94
21 GAL NAG GAL FUC FUC 0.535354 0.959184
22 AMU NAG 0.531915 0.98
23 NAG FUC 0.529412 0.918367
24 NAG GAL FUC A2G 0.521739 0.938776
25 BGC FUC GAL NAG GAL 0.519231 0.938776
26 BGC GAL FUC GLA 0.516129 0.693878
27 GAL NAG FUC GAL 0.510204 0.938776
28 GDL NAG 0.505747 0.979592
29 MAG FUC GAL FUC 0.505263 0.94
30 BGC GAL NAG GAL FUC FUC 0.504673 0.959184
31 GLA NAG GAL FUC 0.494949 0.938776
32 NAG GAL NAG 0.494737 0.979592
33 GAL NGA A2G 0.48913 0.979592
34 NAG BDP NAG BDP NAG BDP NAG 0.485437 0.98
35 NAG NAG NAG NAG NAG 0.483516 1
36 NAG NAG NAG NAG NAG NAG 0.483516 1
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.483516 1
38 NDG NAG NAG NAG NAG 0.483516 1
39 NAG NAG BMA MAN NAG 0.47619 1
40 GLC BGC FUC GAL 0.47191 0.693878
41 BGC FUC GAL 0.47191 0.693878
42 AMU ALA NAG DGL 0.469027 0.907407
43 BMA MAN NAG 0.46875 0.918367
44 BGC GAL NGA 0.468085 0.918367
45 BGC GAL NAG GAL FUC 0.46729 0.938776
46 GAL NAG GAL FUC 0.466019 0.901961
47 MAN NAG 0.465909 0.918367
48 MUB ALA NAG ZGL 0.464912 0.890909
49 BGC GAL NAG 0.463918 0.918367
50 NAG FUC GAL SIA 0.46281 0.942308
51 GLA NAG FUC GAL 0.461538 0.92
52 MUB ALA NAG DGN 0.46087 0.890909
53 MMA MAN NAG 0.458333 0.92
54 NAG GAL GLC NAG GLC RAM 0.456311 0.979592
55 MBG NAG 0.455556 0.92
56 BGC GAL GLA NGA 0.455446 0.918367
57 MAG FUC SGA 0.451923 0.712121
58 MBG A2G 0.450549 0.92
59 MAN MAN NAG 0.44898 0.882353
60 MUB ALA NAG GLN 0.448276 0.907407
61 GAL NGA 0.445652 0.862745
62 NDG NAG 0.445652 1
63 GAL FUC GAL 0.444444 0.693878
64 A2G GAL NAG 0.44 0.979592
65 A2G GAL 0.438202 0.918367
66 NM9 NAG 0.434343 0.960784
67 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.432432 0.98
68 MAG FUC G4S 0.428571 0.712121
69 MAN MAN MAN NAG NAG 0.428571 0.979592
70 3QL 0.42268 0.90566
71 NAG GAL NAG GAL NAG GAL 0.421569 1
72 NAG GAL NAG GAL 0.421569 0.979592
73 NDG BMA MAN MAN NAG GAL NAG 0.420168 1
74 BMA MAN MAN NAG GAL NAG 0.417391 0.979592
75 NAG NAG BMA MAN MAN NAG GAL NAG 0.416667 1
76 NDG BMA MAN MAN NAG MAN MAN 0.416667 0.979592
77 NAG NON FUC GAL FUC 0.415929 0.857143
78 BGC GAL FUC 0.414894 0.693878
79 GLC GAL BGC FUC 0.414894 0.693878
80 HSH GLA FUC 0.41 0.614035
81 NAG NGO 0.41 0.854545
82 NDG GAL FUC FUC 0.407767 0.884615
83 MMA MAN NAG MAN NAG NAG 0.407407 0.98
84 NAG GAL 0.406593 0.918367
85 NAG NAG NAG 0.405941 0.924528
86 NAG NAG NAG NAG NAG NAG NAG 0.405941 0.924528
87 NAG NAG NAG NAG 0.405941 0.924528
88 LEC NGA 0.40566 0.765625
89 BMA Z4Y NAG 0.40566 0.9
90 Z4S NAG NAG 0.403846 0.924528
91 YZ0 MAN MAN NAG MAN 0.401786 0.92
92 GAL NAG GAL 0.4 0.918367
93 C4W NAG FUC BMA MAN MAN NAG NAG 0.4 0.942308
94 C4W NAG FUC BMA MAN NAG 0.4 0.942308
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GAL FUC FUC A2G; Similar ligands found: 0
No: Ligand Similarity coefficient
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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