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([...
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 473 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 355 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 272 families.
1 5IUC - SIA GAL A2G n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL A2G; Similar ligands found: 97
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 SIA GAL NAG 0.783505 1
5 NAG SIA GAL 0.783505 1
6 SIA 2FG NAG 0.777778 0.928571
7 GLA GLC SIA 0.765306 0.961538
8 BGC GAL SIA 0.765306 0.961538
9 SIA GAL BGC 0.765306 0.961538
10 SIA GAL GLC 0.765306 0.961538
11 SIA BGC GAL 0.765306 0.961538
12 BGC SIA GAL 0.765306 0.961538
13 GAL BGC SIA 0.765306 0.961538
14 GAL NGA GAL SIA 0.757282 1
15 GAL SIA NGA GAL SIA 0.757282 1
16 SIA GAL NGA GAL 0.757282 1
17 NAG FUC SIA GAL 0.745283 1
18 SIA GLA NAG FUC 0.745283 1
19 SIA GAL NAG FUC 0.745283 1
20 SIA GAL NDG FUC 0.745283 1
21 NDG FUC SIA GAL 0.745283 1
22 FUC NDG GAL SIA 0.745283 1
23 SIA GAL 0.725275 0.961538
24 NAG GAL NGC 0.714286 0.962264
25 SIA GAL NGS 0.71028 0.8125
26 GAL BGC GAL SIA NGA SIA 0.696429 1
27 BGC GAL SIA SIA GAL NGA 0.696429 1
28 SIA GAL NDG SIA 0.685185 0.945455
29 SIA GLA NGS FUC 0.681035 0.8125
30 SIA SIA GAL NGA GAL SIA 0.672414 0.981132
31 SIA SIA GLA BGC 0.669643 0.981132
32 BGC SIA SIA GAL 0.669643 0.981132
33 SIA 2FG 0.666667 0.892857
34 SIA SIA GAL NGA GAL 0.666667 0.981132
35 SIA GAL MAG FUC 0.666667 0.962264
36 GAL SIA NGA GAL 0.66055 1
37 MN0 GAL GLC 0.650943 0.924528
38 NGC GAL NGA POL AZI 0.646552 0.784615
39 4U2 0.644231 0.980769
40 5N6 GAL 0.64 0.962264
41 SIA GAL BGC NGA GAL 0.632479 1
42 BGC GAL SIA NGA GAL 0.632479 1
43 GAL NGA GAL BGC SIA 0.632479 1
44 GAL NGA SIA GAL BGC 0.632479 1
45 SIA SIA GAL 0.628571 0.981132
46 SLT 0.628571 0.942308
47 NGC MBG 0.62 0.907407
48 Z3Q GAL 5N6 0.615385 0.83871
49 BGC GAL SIA NGA GAL SIA 0.609375 0.852459
50 SIA GAL NGA 0.59633 1
51 BGC GAL SIA NGA 0.576271 1
52 SIA GAL BGC NGA 0.576271 1
53 GAL BGC SIA NGA 0.576271 1
54 SIA NAG GAL GAL 0.560345 0.981132
55 BGC GAL CEQ SLB NGA GAL SIA SIA 0.550725 0.866667
56 SIA NAG GAL 0.54386 0.945455
57 NAG GAL SIA 0.535088 0.981132
58 GAL TNR SIA 0.533898 0.962963
59 SIA GAL BGC 16C 0.532847 0.83871
60 BGC 18C GAL SIA 0.52518 0.83871
61 SIA GAL SIA BGC NGA 0.515152 0.981132
62 SIA GAL SIA GLC NGA 0.515152 0.981132
63 SIA CMO 0.51087 0.87037
64 SIA GAL NAG GAL GLC 0.507812 0.981132
65 SIA GAL NAG GAL BGC 0.507812 0.981132
66 BGC GAL NAG SIA GAL 0.507812 0.981132
67 GAL NAG SIA GAL 0.504065 0.981132
68 SIA GAL NAG GAL 0.504065 0.981132
69 GAL SIA 0.5 0.943396
70 4U1 0.483051 0.962264
71 GAL A2G 0.478261 0.865385
72 GAL NGA 0.478261 0.865385
73 A2G GAL 0.478261 0.865385
74 4U0 0.474576 0.924528
75 GC4 NAG 0.46 0.903846
76 GAL NGA A2G 0.459184 0.90566
77 BGC 18C GAL NGA SIA GAL 0.458599 0.83871
78 MNA 0.452632 0.851852
79 NAG BDP 0.44898 0.903846
80 SIA GAL SIA BGC NGA CEQ 0.44898 0.8
81 SLB SIA 0.444444 0.962264
82 SIA SIA 0.444444 0.962264
83 SIA NAG 0.441441 0.910714
84 SLB SIA SIA 0.440367 0.962264
85 SIA SIA SIA SLB 0.440367 0.962264
86 SLB SIA SIA SIA SIA 0.440367 0.962264
87 SIA SIA SIA SIA SIA SIA SIA 0.440367 0.962264
88 FUC NAG 0.4375 0.865385
89 SIA SIA SIA 0.433628 0.962264
90 NAG A2G 0.418367 0.923077
91 NAG NGA 0.418367 0.923077
92 SIA WIA 0.415929 0.894737
93 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.405594 0.962963
94 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.405594 0.962963
95 NAG BDP NAG BDP NAG BDP NAG 0.4 0.961538
96 NAG GCU NAG GCU NAG GCU 5AX 0.4 0.961538
97 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: 16
This union binding pocket(no: 1) in the query (biounit: 5iuc.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L6O SER LEU LYS LEU MET THR THR VAL 0.004803 0.42793 None
2 3SJK LYS PRO VAL LEU ARG THR ALA 0.01011 0.41309 None
3 2Z8L NAG FUC SIA GAL 0.003493 0.43466 2.3622
4 4FF8 14S 0.01143 0.40278 2.3622
5 3R5J ACE ALA ASP VAL ALA ASA 0.0154 0.40869 3.14961
6 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.001625 0.45131 3.93701
7 4RHS SIA SIA GAL 0.01043 0.40023 4.91803
8 4DXG NDG FUC SIA GAL 0.003794 0.43281 5.51181
9 4COL DTP 0.01387 0.40533 6.29921
10 4TXJ THM 0.03114 0.40577 7.87402
11 3F5A SIA GAL NAG 0.009248 0.43196 8.66142
12 3PE2 E1B 0.0202 0.42872 8.66142
13 2ED4 FAD 0.02837 0.40546 10.2362
14 1GMN IDS SGN IDS SGN IDS 0.01362 0.4067 11.0236
15 4FOU C2E 0.004047 0.40451 12.8205
16 1XVB BHL BHL 0.0159 0.40377 13.3858
Feedback