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
FUC GAL NAG GAL FUC A:601;
Valid;
none;
Kd = 227 uM
837.775 n/a O=C(N...
View in 3D viewer
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 1443 families.
1 4ZH7 Kd = 227 uM FUC GAL NAG GAL 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 1205 families.
1 4ZH7 Kd = 227 uM FUC GAL NAG GAL 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 1039 families.
1 4ZH7 Kd = 227 uM FUC GAL NAG GAL FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC GAL NAG GAL FUC; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC GAL NAG GAL FUC 1 1
2 GAL NAG GAL FUC 0.822785 0.978723
3 GLA NAG GAL FUC 0.822785 0.978723
4 GLC GAL NAG GAL FUC FUC 0.764045 1
5 BGC GAL NAG GAL FUC FUC 0.764045 1
6 FUC NAG GAL FUC 0.695122 1
7 BCW 0.695122 1
8 GAL NAG FUC FUC 0.654762 1
9 FUC GAL NDG FUC 0.654762 1
10 BDZ 0.654762 1
11 FUC NDG GAL FUC 0.654762 1
12 GAL NDG FUC FUC 0.654762 1
13 FUC GAL NAG FUC 0.654762 1
14 DR3 0.630952 0.978723
15 GAL GLC NAG GAL FUC 0.62766 0.978723
16 GLC NAG GAL GAL FUC 0.62766 0.978723
17 FUC GAL NAG GAL BGC 0.62766 0.978723
18 FUC GAL NAG 0.619048 0.978723
19 DR2 0.619048 0.978723
20 NDG GAL FUC 0.619048 0.978723
21 FUL GAL NAG 0.619048 0.978723
22 GAL NAG FUC 0.619048 0.978723
23 FUC GAL NDG 0.619048 0.978723
24 NAG GAL FUC 0.619048 0.978723
25 NAG MAN BMA 0.607143 0.957447
26 FUC BGC GAL NAG 0.574468 0.978723
27 FUC NAG GLA GAL 0.574468 0.958333
28 FUC BGC GAL NAG GAL 0.571429 0.978723
29 MAG FUC GAL 0.569767 0.979167
30 FUC GAL NAG NON FUC 0.56 0.854545
31 GLC GAL FUC 0.554217 0.723404
32 8B7 0.554217 0.723404
33 FUC GAL GLC 0.554217 0.723404
34 BGC GAL FUC 0.554217 0.723404
35 LAT FUC 0.554217 0.723404
36 GAL NDG FUC 0.551724 0.978723
37 FUC NDG GAL 0.551724 0.978723
38 BMA MAN MAN MAN 0.55 0.702128
39 GAL NAG 0.536585 0.957447
40 NAG GAL 0.536585 0.957447
41 BGC FUC GAL FUC A2G 0.536082 1
42 GLC FUC GAL FUC A2G 0.536082 1
43 NAG GAL FUC FUC A2G 0.535354 0.959184
44 NAG GAL GAL NAG GAL 0.532609 0.938776
45 GAL NGA A2G 0.528736 0.938776
46 GLA GAL NAG FUC GAL GLC 0.519231 0.978723
47 FUC BGC GAL 0.511905 0.723404
48 A2G GLA FUC 0.505495 0.978723
49 NGA GAL FUC 0.505495 0.978723
50 FUC GLA A2G 0.505495 0.978723
51 A2G GAL FUC 0.505495 0.978723
52 FUC GAL A2G 0.505495 0.978723
53 FUC GAL NAG A2G FUC 0.504951 0.959184
54 A2G GAL BGC FUC 0.5 0.978723
55 NAG FUC 0.5 0.93617
56 A2G GAL NAG FUC GAL GLC 0.495413 0.959184
57 GLC GAL NAG GAL FUC A2G 0.495413 0.959184
58 XYS GAL FUC 0.494382 0.708333
59 NAG MAN MAN MAN NAG 0.489796 0.938776
60 G4S MAG FUC 0.489796 0.707692
61 NAG MAN BMA MAN NAG GAL 0.485981 0.938776
62 A2G GAL NAG FUC 0.485149 0.959184
63 FUC GAL NAG A2G 0.485149 0.959184
64 SGA MAG FUC 0.484848 0.707692
65 FUC NAG 0.477273 0.882353
66 FUC NAG GAL 0.473118 0.901961
67 GAL NAG GAL GLC 0.458333 0.957447
68 BGC GAL NAG GAL 0.458333 0.957447
69 FUC GAL 0.45679 0.702128
70 GAL NGA GLA BGC GAL 0.454545 0.957447
71 GLC GAL NAG GAL 0.44898 0.957447
72 LAT NAG GAL 0.44898 0.957447
73 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.448598 0.94
74 NAG MAN MMA 0.446809 0.958333
75 M3M 0.443038 0.702128
76 LB2 0.443038 0.702128
77 MAN GLC 0.443038 0.702128
78 NGR 0.443038 0.702128
79 BGC GLA GAL FUC 0.442105 0.723404
80 BMA MAN MAN MAN MAN 0.44086 0.702128
81 MAN MAN NAG 0.4375 0.918367
82 GAL GAL FUC 0.431818 0.723404
83 FUC GLA GLA 0.431818 0.723404
84 GLA GAL FUC 0.431818 0.723404
85 GLA GLA FUC 0.431818 0.723404
86 FUC GAL GLA 0.431818 0.723404
87 BHE 0.430108 0.636364
88 NGA GLA GAL BGC 0.43 0.957447
89 GAL NAG GAL NAG GAL NAG 0.424242 0.959184
90 NAG GAL GAL NAG 0.424242 0.938776
91 BHG FUC 0.423913 0.636364
92 FUC BHG 0.423913 0.636364
93 4YA 0.423913 0.636364
94 NAG GAL BGC 0.42268 0.957447
95 GAL NAG GAL BGC 0.421569 0.918367
96 GAL NAG MAN 0.421053 0.957447
97 BGC BGC BGC GLC BGC BGC 0.416667 0.702128
98 GLC BGC BGC BGC BGC BGC BGC 0.416667 0.702128
99 MAN BMA NAG NAG MAN NAG GAL GAL 0.415929 0.959184
100 NAG MAN MAN MAN NAG GAL NAG GAL 0.415929 0.959184
101 GLA GAL NAG 0.414894 0.957447
102 MAN BMA NAG 0.414894 0.957447
103 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.414414 0.957447
104 BGA 0.411215 0.854545
105 NGA GAL BGC 0.410526 0.957447
106 GAL A2G 0.409091 0.957447
107 NDG GAL 0.409091 0.957447
108 GAL NGA 0.409091 0.957447
109 NLC 0.409091 0.957447
110 A2G GAL 0.409091 0.957447
111 GAL NDG 0.409091 0.957447
112 SIA NAG GAL GAL 0.408333 0.886792
113 NAG GAL NAG 0.408163 0.938776
114 NAG NAG FUL BMA MAN MAN NAG GAL 0.408 0.886792
115 MAN MAN MAN GLC 0.406593 0.702128
116 SIA GAL MAG FUC 0.406504 0.867925
117 MAN MAN MAN MAN MAN MAN MAN 0.405941 0.702128
118 FUC C4W NAG BMA MAN MAN NAG NAG 0.401575 0.903846
119 FUC NAG TA5 0.4 0.686567
120 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.4 0.938776
121 NAG BMA NAG MAN MAN NAG NAG 0.4 0.959184
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZH7; Ligand: FUC GAL NAG GAL 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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