Receptor
PDB id Resolution Class Description Source Keywords
5EQ3 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE SRPA ADHESIN FROM STREPTOCOCCUS SAN WITH A SIALYL GALACTOSE DISACCHARIDE BOUND STREPTOCOCCUS SANGUINIS BACTERIAL ADHESIN LECTIN IMMUNOGLOBULIN FOLD SERINE-RICH SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR SIALOGLYCAN BINDING BY THE STREPTOCOCCUS SANGUINIS SRPA ADHESIN. J.BIOL.CHEM. V. 291 7230 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:504;
A:503;
B:503;
A:505;
B:502;
B:501;
B:504;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NGC MBG A:501;
Valid;
none;
submit data
500.43 n/a O=C(N...
NA B:505;
Invalid;
none;
submit data
22.99 Na [Na+]
ACT B:506;
A:506;
A:507;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KIQ 1.64 Å NON-ENZYME: BINDING SRPA WITH SIALYL LEWISX STREPTOCOCCUS SANGUINIS (STRAIN SK36) ADHESIN CARBOHYDRATE BINDING IG FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURES OF THE STREPTOCOCCUS SANGUINIS SRPA BIND REGION WITH HUMAN SIALOGLYCANS SUGGEST FEATURES OF PHYSIOLOGICAL LIGAND. BIOCHEMISTRY 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5IJ2 - SIA GAL NAG n/a n/a
2 5IJ3 - SIA GAL A2G n/a n/a
3 5IJ1 - SIA GAL BGC n/a n/a
4 5KIQ - SIA GAL NAG FUC n/a n/a
5 5EQ3 - NGC MBG n/a n/a
6 5IIY - SIA GAL n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5IJ2 - SIA GAL NAG n/a n/a
2 5IJ3 - SIA GAL A2G n/a n/a
3 5IJ1 - SIA GAL BGC n/a n/a
4 5KIQ - SIA GAL NAG FUC n/a n/a
5 5EQ3 - NGC MBG n/a n/a
6 5IIY - SIA GAL n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5IJ2 - SIA GAL NAG n/a n/a
2 5IJ3 - SIA GAL A2G n/a n/a
3 5IJ1 - SIA GAL BGC n/a n/a
4 5KIQ - SIA GAL NAG FUC n/a n/a
5 5EQ3 - NGC MBG n/a n/a
6 5IIY - SIA GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGC MBG; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 NGC MBG 1 1
2 MN0 GAL GLC 0.71875 0.942308
3 NAG GAL NGC 0.7 0.943396
4 GAL SIA 0.651685 0.942308
5 NGC GAL NGA POL AZI 0.630631 0.769231
6 NGA GAL SIA 0.62 0.907407
7 SIA GAL A2G 0.62 0.907407
8 GLA GLC SIA 0.613861 0.942308
9 SIA GAL GLC 0.613861 0.942308
10 BGC GAL SIA 0.613861 0.942308
11 SIA GAL BGC 0.613861 0.942308
12 GAL BGC SIA 0.613861 0.942308
13 BGC SIA GAL 0.613861 0.942308
14 NAG SIA GAL 0.613861 0.907407
15 SIA 2FG 0.612903 0.875
16 SIA GAL NAG 0.596154 0.892857
17 SIA GAL MAG FUC 0.590909 0.943396
18 SIA GAL 0.585106 0.90566
19 SIA GAL NAG GAL 0.579439 0.890909
20 GAL SIA NGA GAL SIA 0.568807 0.907407
21 SIA GAL NDG SIA 0.563636 0.892857
22 SIA GAL NAG SIA 0.563636 0.890909
23 SIA SIA GAL 0.563107 0.890909
24 MN0 0.559524 0.903846
25 SIA GAL NGS 0.558559 0.720588
26 SIA 2FG NAG 0.551402 0.844828
27 SIA GLA NAG FUC 0.548673 0.907407
28 SIA GAL NDG FUC 0.548673 0.907407
29 NDG FUC SIA GAL 0.548673 0.907407
30 FUC NDG GAL SIA 0.548673 0.907407
31 NAG FUC SIA GAL 0.548673 0.907407
32 SIA GAL NAG FUC 0.548673 0.907407
33 SIA GAL NGA 0.54717 0.907407
34 BGC SIA SIA GAL 0.53913 0.890909
35 SIA SIA GLA BGC 0.53913 0.890909
36 BGC GAL SIA NGA GAL SIA 0.525424 0.907407
37 BGC GAL SIA SIA GAL NGA 0.525424 0.907407
38 GAL SIA NGA GAL 0.513274 0.907407
39 SIA GAL NGA GAL 0.513274 0.907407
40 GAL NGA GAL SIA 0.513274 0.890909
41 SIA SIA GAL NGA GAL SIA 0.508197 0.890909
42 GAL BGC SIA NGA 0.504274 0.907407
43 BGC GAL SIA NGA 0.504274 0.907407
44 SIA GAL BGC NGA 0.504274 0.907407
45 SIA SIA GAL NGA GAL 0.504065 0.890909
46 SIA GLA NGS FUC 0.504065 0.720588
47 SLT 0.490741 0.923077
48 4U2 0.490741 0.888889
49 BGC GAL SIA NGA GAL 0.483607 0.907407
50 GAL NGA GAL BGC SIA 0.483607 0.907407
51 SIA GAL BGC NGA GAL 0.483607 0.907407
52 GAL NGA SIA GAL BGC 0.483607 0.907407
53 SIA GAL BGC 16C 0.470588 0.793651
54 BGC 18C GAL SIA 0.463768 0.793651
55 NGC 0.45977 0.862745
56 NGE 0.45977 0.862745
57 GAL TNR SIA 0.457627 0.892857
58 SIA WIA 0.456311 0.877193
59 SIA NAG GAL 0.45614 0.892857
60 SIA GAL SIA GLC NGA 0.450382 0.890909
61 SIA GAL SIA BGC NGA 0.450382 0.890909
62 MNA 0.438202 0.867925
63 SIA NAG GAL GAL 0.436975 0.890909
64 BGC GAL CEQ SLB NGA GAL SIA SIA 0.43662 0.793651
65 NAG GAL SIA 0.434783 0.890909
66 GAL NAG SIA GAL 0.434426 0.890909
67 SIA GAL NAG GAL BGC 0.429688 0.890909
68 SIA GAL NAG GAL GLC 0.429688 0.890909
69 BGC GAL NAG SIA GAL 0.429688 0.890909
70 SLB SIA 0.417476 0.907407
71 SIA SIA 0.417476 0.907407
72 SLB SIA SIA 0.413462 0.907407
73 SIA SIA SIA SIA SIA SIA SIA 0.413462 0.907407
74 SIA SIA SIA 0.407407 0.907407
75 18D 0.402174 0.846154
76 SIA NAG 0.401869 0.859649
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KIQ; Ligand: SIA GAL NAG 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: 5kiq.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback