Receptor
PDB id Resolution Class Description Source Keywords
4NFD 1.71 Å NON-ENZYME: IMMUNE STRUCTURE OF PILR L108W MUTANT IN COMPLEX WITH SIALIC ACID HOMO SAPIENS IGV-LIKE IMMUNE-RELATED ACTIVATION RECEPTOR CD99 SIALIC ASURFACE IMMUNE SYSTEM
Ref.: PILR ALPHA AND PILR BETA HAVE A SIGLEC FOLD AND PRO BASIS OF BINDING TO SIALIC ACID PROC.NATL.ACAD.SCI.USA V. 111 8221 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA A:201;
Valid;
none;
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309.27 C11 H19 N O9 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NFD 1.71 Å NON-ENZYME: IMMUNE STRUCTURE OF PILR L108W MUTANT IN COMPLEX WITH SIALIC ACID HOMO SAPIENS IGV-LIKE IMMUNE-RELATED ACTIVATION RECEPTOR CD99 SIALIC ASURFACE IMMUNE SYSTEM
Ref.: PILR ALPHA AND PILR BETA HAVE A SIGLEC FOLD AND PRO BASIS OF BINDING TO SIALIC ACID PROC.NATL.ACAD.SCI.USA V. 111 8221 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3WV0 - SIA GLY PRO ALA THR PRO ALA PRO A2G n/a n/a
2 4NFD - SIA C11 H19 N O9 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 3WV0 - SIA GLY PRO ALA THR PRO ALA PRO A2G n/a n/a
2 4NFD - SIA C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 3WV0 - SIA GLY PRO ALA THR PRO ALA PRO A2G n/a n/a
2 4NFD - SIA C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 MNA 0.629032 0.895833
7 79J 0.615385 0.934783
8 SIA CMO 0.59375 0.877551
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SLB 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 SLB SIA SIA SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.469136 0.843137
25 SIA GAL 0.463415 0.86
26 SID 0.459459 0.82
27 SIA SIA SIA 0.453488 0.826923
28 MUS 0.449438 0.796296
29 NXD 0.447368 0.792453
30 SIA 2FG 0.447059 0.796296
31 SIA WIA 0.447059 0.767857
32 SLT 0.44086 0.877551
33 KDO 0.435484 0.704545
34 SIA NAG 0.430233 0.781818
35 4U0 0.427083 0.86
36 4U2 0.425532 0.843137
37 BND 0.416667 0.807692
38 SKD 0.414286 0.875
39 SIA SIA GAL 0.410526 0.811321
40 4U1 0.408163 0.826923
41 GLA GLC SIA 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 SIA BGC GAL 0.402062 0.86
44 BGC GAL SIA 0.402062 0.86
45 SIA GAL GLC 0.402062 0.86
46 BGC SIA GAL 0.402062 0.86
47 SIA GAL BGC 0.402062 0.86
48 4AM 0.4 0.833333
49 DAN 0.4 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NFD; Ligand: SIA; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 4nfd.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T0B SIA GAL NAG 0.03192 0.40038 1.66667
2 4EZW ASN ARG LEU LEU LEU THR GLY 0.008047 0.41255 4.16667
3 5F3I 5UJ 0.0406 0.42768 5
4 5TUZ SAM 0.02437 0.42438 5
5 5TUZ 7L6 0.02437 0.42438 5
6 1B7H LYS NLE LYS 0.02378 0.40314 5
7 3B82 NAD 0.02392 0.4162 7.5
8 4D42 W0I 0.04319 0.40118 7.5
9 4D42 NAP 0.04319 0.40118 7.5
10 4B5P ACO 0.02086 0.41201 8.33333
11 1WLJ U5P 0.01678 0.40166 8.33333
12 4BTI 7R9 0.02075 0.40458 9.16667
13 2CNT COA 0.02747 0.40392 9.16667
14 2WBV SIA 0.001582 0.44913 13.3333
15 2CWH PYC 0.02147 0.42214 19.1667
16 2CWH NDP 0.01876 0.42193 19.1667
17 5LFV SIA GAL NAG 0.00008319 0.47199 35
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