Receptor
PDB id Resolution Class Description Source Keywords
5VKM 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HUMAN CD22 IG DOMAINS 1-3 IN COMPLEX WI 2-6 SIALYLLACTOSE HOMO SAPIENS SIGLEC SIALIC ACID CARBOHYDRATE BINDING PROTEIN IMMUNE SY
Ref.: MOLECULAR BASIS OF HUMAN CD22 FUNCTION AND THERAPEU TARGETING. NAT COMMUN V. 8 764 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL SIA A:406;
Valid;
none;
submit data
470.404 n/a O=C(N...
GOL A:408;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG NAG BMA MAN MAN A:401;
Invalid;
none;
submit data
910.826 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5VKM 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HUMAN CD22 IG DOMAINS 1-3 IN COMPLEX WI 2-6 SIALYLLACTOSE HOMO SAPIENS SIGLEC SIALIC ACID CARBOHYDRATE BINDING PROTEIN IMMUNE SY
Ref.: MOLECULAR BASIS OF HUMAN CD22 FUNCTION AND THERAPEU TARGETING. NAT COMMUN V. 8 764 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5VKM - GAL SIA 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 209 families.
1 5VKM - GAL SIA 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 174 families.
1 5VKM - GAL SIA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL SIA; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL SIA 1 1
2 SIA SIA GAL 0.835294 0.943396
3 SIA 2FG 0.790123 0.925926
4 NGA GAL SIA 0.725275 0.961538
5 SIA GAL A2G 0.725275 0.961538
6 BGC SIA GAL 0.717391 1
7 GLA GLC SIA 0.717391 1
8 GAL BGC SIA 0.717391 1
9 BGC GAL SIA 0.717391 1
10 SIA GAL BGC 0.717391 1
11 SIA GAL GLC 0.717391 1
12 SIA GAL 0.714286 0.960784
13 NAG SIA GAL 0.698925 0.961538
14 GAL SIA NGA GAL SIA 0.676768 0.961538
15 SIA GAL NAG 0.659794 0.909091
16 SIA GAL NGA 0.65625 0.961538
17 NGC MBG 0.651685 0.942308
18 SIA 2FG NAG 0.642857 0.892857
19 SIA GAL NAG GAL 0.64 0.943396
20 SIA GAL NAG SIA 0.637255 0.943396
21 NAG GAL NGC 0.633663 0.961538
22 SIA GAL NGS 0.631068 0.757576
23 SIA GAL NGA GAL 0.627451 0.961538
24 GAL SIA NGA GAL 0.627451 0.961538
25 BGC SIA SIA GAL 0.622642 0.943396
26 SIA SIA GLA BGC 0.622642 0.943396
27 SIA GAL NDG SIA 0.621359 0.909091
28 SIA GLA NAG FUC 0.619048 0.961538
29 SIA GAL NDG FUC 0.619048 0.961538
30 NAG FUC SIA GAL 0.619048 0.961538
31 SIA GAL NAG FUC 0.619048 0.961538
32 NDG FUC SIA GAL 0.619048 0.961538
33 FUC NDG GAL SIA 0.619048 0.961538
34 BGC GAL SIA SIA GAL NGA 0.605505 0.961538
35 BGC GAL SIA NGA GAL SIA 0.605505 0.961538
36 MN0 GAL GLC 0.6 0.960784
37 SIA SIA GAL NGA GAL SIA 0.598214 0.943396
38 SIA GAL MAG FUC 0.588785 0.924528
39 GAL NGA GAL SIA 0.580952 0.943396
40 SIA SIA GAL NGA GAL 0.578947 0.943396
41 SLT 0.575758 0.98
42 GAL BGC SIA NGA 0.568807 0.961538
43 BGC GAL SIA NGA 0.568807 0.961538
44 SIA GAL BGC NGA 0.568807 0.961538
45 SIA NAG GAL GAL 0.566038 0.943396
46 SIA GLA NGS FUC 0.565217 0.757576
47 4U2 0.56 0.942308
48 GAL NGA GAL BGC SIA 0.557522 0.961538
49 SIA GAL BGC NGA GAL 0.557522 0.961538
50 GAL NGA SIA GAL BGC 0.557522 0.961538
51 BGC GAL SIA NGA GAL 0.557522 0.961538
52 GAL NAG SIA GAL 0.545455 0.943396
53 NGC GAL NGA POL AZI 0.54386 0.78125
54 MNA 0.5375 0.849057
55 SIA NAG GAL 0.533333 0.909091
56 NAG GAL SIA 0.52381 0.943396
57 SLB SIA 0.516129 0.924528
58 SIA SIA 0.516129 0.924528
59 SLB SIA SIA 0.510638 0.924528
60 SIA SIA SIA SIA SIA SIA SIA 0.510638 0.924528
61 SIA NAG 0.510417 0.875
62 SIA GAL SIA GLC NGA 0.504065 0.943396
63 SIA GAL SIA BGC NGA 0.504065 0.943396
64 GAL TNR SIA 0.491071 0.909091
65 SIA GAL BGC 16C 0.48855 0.806452
66 4U0 0.485981 0.960784
67 SIA SIA SIA 0.484848 0.924528
68 BGC 18C GAL SIA 0.481203 0.806452
69 BGC GAL CEQ SLB NGA GAL SIA SIA 0.474074 0.806452
70 BGC GAL NAG SIA GAL 0.471074 0.943396
71 SIA GAL NAG GAL BGC 0.471074 0.943396
72 SIA GAL NAG GAL GLC 0.471074 0.943396
73 4U1 0.46789 0.924528
74 SLB 0.463415 0.86
75 SIA 0.463415 0.86
76 SIA WIA 0.45 0.892857
77 CNP 0.438202 0.796296
78 SIA GAL SIA BGC NGA CEQ 0.434783 0.769231
79 MN0 0.431818 0.849057
80 SID 0.413043 0.781818
81 MUS 0.411215 0.793103
82 NXD 0.404255 0.789474
83 C5P SIA 0.403226 0.684932
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VKM; Ligand: GAL SIA; 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: 5vkm.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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