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 552 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 426 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 322 families.
1 5F7Y - GLC GAL NAG GAL FUC A2G n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GAL NAG GAL FUC A2G; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GAL NAG GAL FUC A2G 1 1
2 GLC GAL NAG GAL FUC GLA 0.880435 0.938776
3 BGC GAL FUC A2G 0.833333 0.938776
4 BGC GAL NAG GAL FUC 0.787234 0.938776
5 BGC GAL NAG 0.719101 0.918367
6 BGC GAL GLA NGA 0.698925 0.918367
7 BGC FUC GAL FUC A2G 0.690722 0.959184
8 BGC GAL NAG GAL 0.684783 0.918367
9 BGC FUC GAL NAG 0.680412 0.938776
10 BGC GAL NAG GAL FUC FUC 0.669903 0.959184
11 BGC GAL GLA NGA GAL 0.65625 0.918367
12 NAG GAL FUC FUC A2G 0.637255 1
13 NAG FUC GAL FUC A2G 0.637255 1
14 BGC GAL FUC GLA 0.634409 0.693878
15 BGC FUC GAL NAG GAL 0.609524 0.938776
16 GLA NAG GAL FUC 0.59 0.938776
17 BGC GAL NGA 0.585106 0.918367
18 NAG GAL FUC GLA 0.584158 0.938776
19 GAL FUC A2G 0.583333 0.938776
20 NAG GAL NAG 0.57732 0.979592
21 BGC GAL NGA GAL 0.57732 0.918367
22 NAG NAG BMA MAN NAG 0.551402 1
23 HSH A2G FUC 0.54717 0.824561
24 GAL NGA A2G 0.541667 0.979592
25 BGC GAL NAG NAG GAL GAL 0.522523 0.979592
26 BMA MAN NAG 0.52 0.918367
27 BGC GAL FUC 0.515789 0.693878
28 GLC GAL BGC FUC 0.515789 0.693878
29 NAG GAL NAG GAL NAG GAL 0.514563 1
30 NAG GAL NAG GAL 0.514563 0.979592
31 GAL NAG GAL NAG GAL 0.514563 0.979592
32 GAL NAG GAL FUC 0.5 0.901961
33 BGC GAL GLA 0.5 0.673469
34 GAL NAG FUC GAL 0.5 0.938776
35 BGC GAL SIA NGA GAL FUC 0.49635 0.942308
36 GAL NAG GAL FUC FUC 0.495413 0.959184
37 NDG NAG GLA NAG GLC RAM 0.491667 1
38 NDG GLA NAG GLC RAM 0.491667 1
39 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.491228 0.98
40 NAG GAL FUC 0.490196 0.938776
41 NDG BMA MAN MAN NAG GAL NAG 0.487603 1
42 NAG NAG BMA MAN MAN NAG GAL NAG 0.483607 1
43 NDG BMA MAN MAN NAG MAN MAN 0.483607 0.979592
44 NAG GAL FUC A2G 0.480392 0.938776
45 MMA MAN NAG 0.480392 0.92
46 NAG GAL GAL 0.48 0.918367
47 BGC BGC BGC BGC BGC BGC BGC BGC 0.479167 0.673469
48 MBG NAG 0.479167 0.92
49 NDG GLA GLC NAG GLC RAM 0.467742 1
50 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.466667 0.844828
51 GAL NAG GAL 0.466019 0.918367
52 BMA MAN MAN NAG GAL NAG 0.462185 0.979592
53 C4W NAG FUC BMA MAN 0.459016 0.942308
54 BGC GAL GLA NGA GAL SIA 0.458647 0.942308
55 RAM MAN GLA ABE RAM MAN GLA ABE 0.457627 0.705882
56 NAG BDP NAG BDP NAG BDP NAG 0.451327 0.98
57 C4W NAG FUC BMA MAN MAN NAG NAG 0.451128 0.942308
58 A2G NAG 0.44898 0.979592
59 GDL NAG 0.44898 0.979592
60 RAM MAN GLA ABE RAM MAN GLA 0.447154 0.705882
61 NAG BMA MAN MAN NAG GAL NAG GAL 0.446281 1
62 C4W NAG FUC BMA MAN MAN NAG 0.444444 0.942308
63 MBG A2G 0.444444 0.92
64 MAN NAG 0.443299 0.918367
65 NAG FUC GAL 0.442308 0.938776
66 BGC GAL NAG GAL SIA 0.441176 0.924528
67 NAG GAL FUC FUC 0.439252 0.959184
68 NDG FUC GAL FUC 0.439252 0.959184
69 NAG FUC 0.438776 0.918367
70 NAG NAG BMA MAN 0.438596 0.90566
71 BGC FUC GAL 0.434343 0.693878
72 GLC BGC FUC GAL 0.434343 0.693878
73 NAG NAG NAG NAG NAG NAG 0.431373 1
74 NAG NAG NAG NAG NAG NAG NAG NAG 0.431373 1
75 NAG NAG NAG NAG NAG 0.431373 1
76 NDG NAG NAG NAG NAG 0.431373 1
77 1GN ACY GAL 1GN BGC ACY GAL BGC 0.431034 0.979592
78 MAN NAG GAL 0.428571 0.918367
79 BGC GAL SIA NGA GAL 0.426471 0.942308
80 MAG FUC GAL FUC 0.425926 0.94
81 MAG GAL FUC FUC 0.425926 0.94
82 MAN MAN MAN NAG NAG 0.424779 0.979592
83 GAL FUC GAL 0.424242 0.693878
84 BGC GAL SIA NAG 0.421053 0.942308
85 NAG NAG MAN MAN MAN 0.420168 0.979592
86 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.418605 0.979592
87 NAG NAG BMA MAN MAN NAG NAG 0.418605 0.924528
88 MAN MAN NAG 0.416667 0.882353
89 RAM MAN GLA ABE 0.415929 0.686275
90 GAL NGA GAL SIA 0.415385 0.942308
91 NAG NAG FUL BMA MAN MAN NAG GAL 0.414815 0.924528
92 RAM MAN GLA TYV RAM GLC MAN GLA TYV 0.41129 0.705882
93 MAN NAG PO4 NGA PO4 0.410714 0.859649
94 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.409836 0.918367
95 MAG SGA FUC 0.408696 0.723077
96 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.406504 0.918367
97 GLA NAG FUC GAL 0.405172 0.92
98 NAG GAL 0.40404 0.918367
99 MGC GAL 0.40404 0.92
100 BMA Z4Y NAG 0.403509 0.9
101 ACG 0.401639 0.807692
102 GLC GLC GLC GLC BGC GLC GLC 0.4 0.673469
103 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.673469
104 MAN BMA BMA BMA BMA BMA BMA 0.4 0.673469
105 YZ0 MAN MAN NAG MAN 0.4 0.92
106 BGC GAL SIA NGA SIA 0.4 0.924528
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GAL NAG GAL 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 : 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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