Receptor
PDB id Resolution Class Description Source Keywords
4ZH7 2.12 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF LEWISB ANTIGEN BINDING BY THE HELICOBACT ADHESIN BABA HELICOBACTER PYLORI BLOOD GROUP ANTIGEN BINDING ADHESIN LEWISB SUGAR BINDING
Ref.: STRUCTURAL BASIS OF LEWIS(B) ANTIGEN BINDING BY THE HELICOBACTER PYLORI ADHESIN BABA. SCI ADV V. 1 00315 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL NAG GAL FUC FUC B:1;
 Valid;
 none;
 Kd = 227 uM
837.775 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZH7 2.12 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF LEWISB ANTIGEN BINDING BY THE HELICOBACT ADHESIN BABA HELICOBACTER PYLORI BLOOD GROUP ANTIGEN BINDING ADHESIN LEWISB SUGAR BINDING
Ref.: STRUCTURAL BASIS OF LEWIS(B) ANTIGEN BINDING BY THE HELICOBACTER PYLORI ADHESIN BABA. SCI ADV V. 1 00315 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4ZH7 Kd = 227 uM GAL NAG GAL FUC FUC 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 1331 families.
1 4ZH7 Kd = 227 uM GAL NAG GAL FUC FUC 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 1144 families.
1 4ZH7 Kd = 227 uM GAL NAG GAL FUC FUC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL NAG GAL FUC FUC; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG GAL FUC FUC 1 1
2 GAL NAG FUC GAL 0.822785 0.978723
3 GLA NAG GAL FUC 0.8 0.978723
4 BGC GAL NAG GAL FUC FUC 0.764045 1
5 MAG GAL FUC FUC 0.716049 0.979167
6 NAG GAL FUC FUC 0.695122 1
7 MAG FUC GAL FUC 0.674699 0.979167
8 NDG FUC GAL FUC 0.654762 1
9 NAG GAL FUC 0.630952 0.978723
10 BGC GAL NAG GAL FUC 0.62766 0.978723
11 NAG GAL FUC A2G 0.619048 0.978723
12 GAL NAG GAL FUC 0.580645 0.938776
13 GLA NAG FUC GAL 0.574468 0.958333
14 BGC FUC GAL NAG 0.574468 0.978723
15 BGC FUC GAL NAG GAL 0.571429 0.978723
16 GAL NAG GAL 0.563218 0.957447
17 NAG NON FUC GAL FUC 0.56 0.854545
18 BGC GAL FUC 0.554217 0.723404
19 GLC GAL BGC FUC 0.554217 0.723404
20 NAG FUC GAL 0.551724 0.978723
21 GAL NAG FUC GAL SIA 0.543103 0.903846
22 BGC FUC GAL FUC A2G 0.536082 1
23 NAG GAL FUC FUC A2G 0.535354 0.959184
24 GAL NAG GAL NAG GAL 0.532609 0.938776
25 GAL NGA A2G 0.528736 0.938776
26 BMA MAN NAG 0.522222 0.957447
27 GLC GAL NAG GAL FUC GLA 0.519231 0.978723
28 BGC FUC GAL 0.511905 0.723404
29 GLC BGC FUC GAL 0.511905 0.723404
30 GAL FUC A2G 0.505495 0.978723
31 NAG FUC GAL FUC A2G 0.504951 0.959184
32 NDG GAL FUC FUC 0.5 0.92
33 BGC GAL FUC A2G 0.5 0.978723
34 NAG FUC 0.5 0.957447
35 GLC GAL NAG GAL FUC A2G 0.495413 0.959184
36 NAG GAL FUC GLA 0.494845 0.978723
37 XYS GAL FUC 0.494382 0.708333
38 MAN MAN MAN NAG NAG 0.489796 0.938776
39 MAG FUC G4S 0.489796 0.707692
40 BMA MAN MAN NAG GAL NAG 0.485981 0.938776
41 MAG FUC SGA 0.484848 0.707692
42 MAG SGA FUC 0.47 0.71875
43 BGC GAL SIA NGA GAL FUC 0.461538 0.903846
44 BGC GAL NAG GAL 0.458333 0.957447
45 BGC GAL GLA NGA GAL 0.454545 0.957447
46 NAG NAG BMA MAN NAG 0.451923 0.959184
47 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.448598 0.94
48 MMA MAN NAG 0.446809 0.958333
49 GAL GLA 0.443038 0.702128
50 BGC GAL FUC GLA 0.442105 0.723404
51 MAN MAN NAG 0.4375 0.918367
52 BGC GAL NGA GAL 0.4375 0.957447
53 GAL FUC GAL 0.431818 0.723404
54 BHE 0.430108 0.636364
55 BGC GAL GLA NGA 0.43 0.957447
56 NAG GAL NAG GAL 0.424242 0.938776
57 NAG GAL NAG GAL NAG GAL 0.424242 0.959184
58 4YA 0.423913 0.636364
59 BGC GAL NAG 0.42268 0.957447
60 MAN NAG GAL 0.421053 0.957447
61 GLC BGC BGC BGC 0.416667 0.702128
62 BGC BGC BGC BGC BGC 0.416667 0.702128
63 BGC BGC BGC BGC BGC BGC 0.416667 0.702128
64 BGC BGC BGC 0.416667 0.702128
65 BGC BGC BGC BGC BGC BGC BGC 0.416667 0.702128
66 NAG BMA MAN MAN NAG GAL NAG GAL 0.415929 0.959184
67 NAG GAL GAL 0.414894 0.957447
68 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.414414 0.957447
69 NDG NAG GLA NAG GLC RAM 0.413793 0.959184
70 NDG GLA NAG GLC RAM 0.413793 0.959184
71 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.410714 0.957447
72 BGC GAL NGA 0.410526 0.957447
73 NAG GAL 0.409091 0.957447
74 A2G GAL 0.409091 0.957447
75 GAL NAG GAL SIA 0.408333 0.886792
76 NAG GAL NAG 0.408163 0.938776
77 NAG NAG FUL BMA MAN MAN NAG GAL 0.408 0.886792
78 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.407692 0.810345
79 MAN MAN MAN GLC 0.406593 0.702128
80 MAG FUC GAL SIA 0.406504 0.867925
81 MAN MAN MAN MAN MAN MAN MAN 0.405941 0.702128
82 HSH A2G FUC 0.40566 0.854545
83 C4W NAG FUC BMA MAN NAG GAL 0.401639 0.810345
84 C4W NAG FUC BMA MAN MAN NAG NAG 0.401575 0.903846
85 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.4 0.938776
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL NAG GAL FUC FUC; 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 : 4ZH7; Ligand: GAL NAG GAL FUC FUC; 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: 4zh7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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