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Receptor
PDB id Resolution Class Description Source Keywords
5IUC 1.25 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE GSPB SIGLEC DOMAIN WITH SIALYL T AN BOUND STREPTOCOCCUS GORDONII BACTERIAL ADHESIN LECTIN IMMUNOGLOBULIN FOLD SERINE-RICH SUGAR BINDING PROTEIN
Ref.: A STRUCTURAL MODEL FOR BINDING OF THE SERINE-RICH R ADHESIN GSPB TO HOST CARBOHYDRATE RECEPTORS. PLOS PATHOG. V. 7 02112 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA GAL A2G A:602;
B:602;
Valid;
Valid;
none;
none;
submit data
673.598 n/a O=C(N...
MG B:601;
A:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IUC 1.25 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE GSPB SIGLEC DOMAIN WITH SIALYL T AN BOUND STREPTOCOCCUS GORDONII BACTERIAL ADHESIN LECTIN IMMUNOGLOBULIN FOLD SERINE-RICH SUGAR BINDING PROTEIN
Ref.: A STRUCTURAL MODEL FOR BINDING OF THE SERINE-RICH R ADHESIN GSPB TO HOST CARBOHYDRATE RECEPTORS. PLOS PATHOG. V. 7 02112 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5IUC - SIA GAL A2G 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 391 families.
1 5IUC - SIA GAL A2G 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 298 families.
1 5IUC - SIA GAL A2G n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL A2G; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA GAL SIA 1 1
2 SIA GAL A2G 1 1
3 SIA GAL NAG SIA 0.838384 0.981132
4 NAG SIA GAL 0.783505 1
5 SIA 2FG NAG 0.777778 0.928571
6 BGC GAL SIA 0.765306 0.961538
7 GAL BGC SIA 0.765306 0.961538
8 GLA GLC SIA 0.765306 0.961538
9 SIA GAL BGC 0.765306 0.961538
10 BGC SIA GAL 0.765306 0.961538
11 SIA GAL GLC 0.765306 0.961538
12 GAL SIA NGA GAL SIA 0.757282 1
13 SIA GAL NAG GAL 0.754902 0.981132
14 NAG FUC SIA GAL 0.745283 1
15 NDG FUC SIA GAL 0.745283 1
16 SIA GAL NAG FUC 0.745283 1
17 FUC NDG GAL SIA 0.745283 1
18 SIA GAL NDG FUC 0.745283 1
19 SIA GLA NAG FUC 0.745283 1
20 SIA GAL NAG 0.72549 0.945455
21 GAL SIA 0.725275 0.961538
22 NAG GAL NGC 0.714286 0.962264
23 SIA GAL NGS 0.71028 0.787879
24 BGC GAL SIA NGA GAL SIA 0.696429 1
25 BGC GAL SIA SIA GAL NGA 0.696429 1
26 SIA GAL NDG SIA 0.685185 0.945455
27 SIA GLA NGS FUC 0.681035 0.787879
28 SIA SIA GAL NGA GAL SIA 0.672414 0.981132
29 BGC SIA SIA GAL 0.669643 0.981132
30 SIA SIA GLA BGC 0.669643 0.981132
31 SIA 2FG 0.666667 0.892857
32 SIA GAL MAG FUC 0.666667 0.962264
33 SIA SIA GAL NGA GAL 0.666667 0.981132
34 SIA GAL NGA GAL 0.66055 1
35 GAL SIA NGA GAL 0.66055 1
36 MN0 GAL GLC 0.650943 0.924528
37 NGC GAL NGA POL AZI 0.646552 0.784615
38 GAL NGA GAL SIA 0.645455 0.981132
39 4U2 0.644231 0.980769
40 BGC GAL SIA NGA GAL 0.632479 1
41 GAL NGA GAL BGC SIA 0.632479 1
42 SIA GAL BGC NGA GAL 0.632479 1
43 GAL NGA SIA GAL BGC 0.632479 1
44 SIA SIA GAL 0.628571 0.981132
45 SLT 0.628571 0.942308
46 SIA GAL 0.622449 0.924528
47 NGC MBG 0.62 0.907407
48 SIA GAL NGA 0.59633 1
49 BGC GAL SIA NGA 0.576271 1
50 GAL BGC SIA NGA 0.576271 1
51 SIA GAL BGC NGA 0.576271 1
52 SIA NAG GAL GAL 0.560345 0.981132
53 BGC GAL CEQ SLB NGA GAL SIA SIA 0.550725 0.83871
54 SIA NAG GAL 0.54386 0.945455
55 NAG GAL SIA 0.535088 0.981132
56 SIA GAL BGC 16C 0.532847 0.83871
57 GAL TNR SIA 0.529412 0.945455
58 BGC 18C GAL SIA 0.52518 0.83871
59 SIA GAL SIA BGC NGA 0.515152 0.981132
60 SIA GAL SIA GLC NGA 0.515152 0.981132
61 SIA GAL NAG GAL BGC 0.507812 0.981132
62 SIA GAL NAG GAL GLC 0.507812 0.981132
63 BGC GAL NAG SIA GAL 0.507812 0.981132
64 GAL NAG SIA GAL 0.504065 0.981132
65 4U1 0.483051 0.962264
66 A2G GAL 0.478261 0.865385
67 GAL NGA 0.478261 0.865385
68 GAL A2G 0.478261 0.865385
69 4U0 0.474576 0.924528
70 GC4 NAG 0.46 0.903846
71 BGC 18C GAL NGA SIA GAL 0.458599 0.83871
72 MNA 0.452632 0.851852
73 SIA GAL SIA BGC NGA CEQ 0.44898 0.8
74 NAG BDP 0.44898 0.903846
75 SIA SIA 0.444444 0.962264
76 SLB SIA 0.444444 0.962264
77 SIA NAG 0.441441 0.910714
78 SLB SIA SIA 0.440367 0.962264
79 SIA SIA SIA SIA SIA SIA SIA 0.440367 0.962264
80 SIA SIA SIA 0.433628 0.962264
81 NAG A2G 0.418367 0.923077
82 NAG NGA 0.418367 0.923077
83 SIA WIA 0.415929 0.894737
84 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.405594 0.962963
85 NAG BDP NAG BDP NAG BDP NAG 0.4 0.961538
86 UCD 0.4 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IUC; Ligand: SIA GAL A2G; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 5iuc.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1UI0 URA None
2 4FOJ C2E None
3 1L6O SER LEU LYS LEU MET THR THR VAL None
4 2QTR NXX None
5 3SUD SUE None
6 3SJK LYS PRO VAL LEU ARG THR ALA None
7 1USF FMN None
8 2Z8L NAG FUC SIA GAL 2.3622
9 4FF8 14S 2.3622
10 3R5J ACE ALA ASP VAL ALA ASA 3.14961
11 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 3.93701
12 5WHT SIA 4.72441
13 6C4M NAP 4.72441
14 5JCA FAD 4.72441
15 4RHS SIA SIA GAL 4.91803
16 4DXG NDG FUC SIA GAL 5.51181
17 5MF5 C2E 5.51181
18 4COL DTP 6.29921
19 2WBV SIA 6.29921
20 2CHG ANP 6.29921
21 4NES UD1 7.08661
22 6HTO MET 7.08661
23 6HTO 5AD 7.08661
24 5H20 GLC 7.20721
25 4TXJ THM 7.87402
26 2RDG NDG FUC SIA GAL 7.87402
27 3F5A SIA GAL NAG 8.66142
28 4LO6 SIA GAL 9.44882
29 1WMA AB3 9.44882
30 1WMA NDP 9.44882
31 1K4M NAD 9.44882
32 2IV2 MGD 9.44882
33 2ED4 FAD 10.2362
34 1H0H MGD 10.2362
35 5UAV TFB 11.0236
36 5UAV NDP 11.0236
37 4B4D FAD 11.811
38 4FOU C2E 12.8205
39 5D9O BGC BGC BGC BGC 13.3858
40 1XVB BHL BHL 13.3858
41 2GOU FMN 14.1732
42 1XK9 P34 15.748
43 4YRY FAD 21.2598
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