Receptor
PDB id Resolution Class Description Source Keywords
2W68 2.5 Å EC: 3.2.1.18 ENHANCING THE RECEPTOR AFFINITY OF THE SIALIC ACID-BINDING DOMAIN OF VIBRIO CHOLERAE SIALIDASE THROUGH MULTIVALENCY VIBRIO CHOLERAE CBM CALCIUM SECRETED HYDROLASE GLYCOSIDASE SIALIC ACID CARBOHYDRATE-BINDING-DOMAIN
Ref.: ENHANCING THE RECEPTOR AFFINITY OF THE SIALIC ACID-BINDING DOMAIN OF VIBRIO CHOLERAE SIALIDASE THROUGH MULTIVALENCY J.BIOL.CHEM. V. 284 7339 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1211;
Invalid;
none;
submit data
40.078 Ca [Ca+2...
SIA GAL BGC A:1217;
B:1217;
C:1216;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 18 uM
632.545 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W68 2.5 Å EC: 3.2.1.18 ENHANCING THE RECEPTOR AFFINITY OF THE SIALIC ACID-BINDING DOMAIN OF VIBRIO CHOLERAE SIALIDASE THROUGH MULTIVALENCY VIBRIO CHOLERAE CBM CALCIUM SECRETED HYDROLASE GLYCOSIDASE SIALIC ACID CARBOHYDRATE-BINDING-DOMAIN
Ref.: ENHANCING THE RECEPTOR AFFINITY OF THE SIALIC ACID-BINDING DOMAIN OF VIBRIO CHOLERAE SIALIDASE THROUGH MULTIVALENCY J.BIOL.CHEM. V. 284 7339 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2W68 Kd = 18 uM SIA GAL BGC 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 23 families.
1 2W68 Kd = 18 uM SIA GAL BGC 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 17 families.
1 2W68 Kd = 18 uM SIA GAL BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL BGC; Similar ligands found: 98
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL SIA 1 1
2 GLA GLC SIA 1 1
3 GAL BGC SIA 1 1
4 BGC SIA GAL 1 1
5 SIA GAL GLC 1 1
6 SIA GAL BGC 1 1
7 SIA SIA GLA BGC 0.861386 0.943396
8 BGC SIA SIA GAL 0.861386 0.943396
9 MN0 GAL GLC 0.852632 0.960784
10 BGC GAL SIA NGA GAL SIA 0.836538 0.961538
11 BGC GAL SIA SIA GAL NGA 0.836538 0.961538
12 NAG SIA GAL 0.831579 0.961538
13 SLT 0.829787 0.98
14 SIA GAL NGA GLA GAL BGC 0.828571 0.961538
15 SIA SIA GAL NGA GAL 0.781818 0.943396
16 SIA GAL A2G 0.765306 0.961538
17 NGA GAL SIA 0.765306 0.961538
18 GAL NGA GAL BGC SIA 0.761468 0.961538
19 GAL NGA SIA GAL BGC 0.761468 0.961538
20 SIA GAL BGC NGA GAL 0.761468 0.961538
21 BGC GAL SIA NGA GAL 0.761468 0.961538
22 NAG GAL NGC 0.757282 0.961538
23 GAL SIA NGA GAL SIA 0.75 0.961538
24 SIA GAL BGC NGA 0.747664 0.961538
25 BGC GAL SIA NGA 0.747664 0.961538
26 GAL BGC SIA NGA 0.747664 0.961538
27 NAG GAL BGC SIA 0.747664 0.961538
28 SIA GAL NGS 0.719626 0.757576
29 GAL SIA 0.717391 1
30 SIA GAL 0.717391 1
31 SIA GAL NAG GAL 0.698113 0.943396
32 SIA GAL NAG SIA 0.694444 0.943396
33 SIA GAL NAG FUC 0.690909 0.961538
34 NDG FUC SIA GAL 0.690909 0.961538
35 NAG FUC SIA GAL 0.690909 0.961538
36 SIA GLA NAG FUC 0.690909 0.961538
37 FUC NDG GAL SIA 0.690909 0.961538
38 SIA GAL NDG FUC 0.690909 0.961538
39 4U2 0.686275 0.942308
40 SIA GAL NDG SIA 0.678899 0.909091
41 SIA GAL BGC NGA GAL FUC 0.677686 0.961538
42 GAL SIA NGA GAL 0.669725 0.961538
43 SIA GAL NGA GAL 0.669725 0.961538
44 NAG GAL FUC GAL SIA 0.669565 0.961538
45 SIA SIA GAL NGA GAL SIA 0.666667 0.943396
46 SIA GAL SIA GLC NGA 0.661157 0.943396
47 SIA GAL SIA BGC NGA 0.661157 0.943396
48 SIA GAL MAG FUC 0.660714 0.924528
49 SIA GAL NAG GAL GLC 0.65812 0.943396
50 SIA GAL NAG GAL BGC 0.65812 0.943396
51 BGC GAL NAG SIA GAL 0.65812 0.943396
52 SIA 2FG 0.642857 0.925926
53 4U0 0.635514 0.960784
54 SIA GAL NGA 0.635514 0.961538
55 SIA SIA GAL 0.622642 0.943396
56 SIA GLA NGS FUC 0.619835 0.757576
57 NGC MBG 0.613861 0.942308
58 GAL NGA GAL SIA 0.610619 0.943396
59 SIA 2FG NAG 0.609091 0.892857
60 NGC GAL NGA POL AZI 0.6 0.78125
61 SIA GAL BGC 16C 0.598485 0.806452
62 NAG GAL SIA 0.585586 0.943396
63 SIA GAL NAG 0.585586 0.943396
64 BGC 18C GAL SIA 0.577778 0.806452
65 BGC GAL CEQ SLB NGA GAL SIA SIA 0.569343 0.806452
66 SIA NAG GAL 0.552632 0.909091
67 GAL NAG SIA GAL 0.55 0.943396
68 SIA NAG GAL GAL 0.542373 0.943396
69 4U1 0.530435 0.924528
70 GAL TNR SIA 0.512397 0.909091
71 SIA GAL SIA BGC NGA CEQ 0.496504 0.769231
72 BGC 18C GAL NGA SIA GAL 0.483871 0.806452
73 NAG GAL BGC 0.466019 0.9
74 LAT NAG GAL 0.462264 0.9
75 GLC GAL NAG GAL 0.462264 0.9
76 GAL NAG GAL GLC 0.457143 0.9
77 BGC GAL NAG GAL 0.457143 0.9
78 MNA 0.447917 0.849057
79 NGA GLA GAL BGC 0.444444 0.9
80 GAL NGA GLA BGC GAL 0.440367 0.9
81 SIA SIA 0.440367 0.924528
82 SLB SIA 0.440367 0.924528
83 SIA NAG 0.4375 0.875
84 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.924528
85 SLB SIA SIA 0.436364 0.924528
86 SIA SIA SIA 0.429825 0.924528
87 NGA GAL BGC 0.413462 0.9
88 SIA WIA 0.412281 0.892857
89 FUC GAL NAG GAL BGC 0.40678 0.882353
90 GAL GLC NAG GAL FUC 0.40678 0.882353
91 GLC NAG GAL GAL FUC 0.40678 0.882353
92 BGC GAL NAG GAL FUC FUC 0.404959 0.901961
93 GLC GAL NAG GAL FUC FUC 0.404959 0.901961
94 GAL BGC NAG NAG GAL GAL 0.403361 0.884615
95 MUS 0.403361 0.793103
96 SLB 0.402062 0.86
97 GLA GAL GAL 0.402062 0.66
98 SIA 0.402062 0.86
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W68; Ligand: SIA GAL BGC; 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: 2w68.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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