Receptor
PDB id Resolution Class Description Source Keywords
3F53 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TOXOPLASMA GONDII MICRONEMAL PROTEIN 1 2F-3'SIALACNAC TOXOPLASMA GONDII CELL ADHESION MICRONEMAL PROTEIN CARBOHYDRATE FLUORINE TGONDII CYTOPLASMIC VESICLE LECTIN VIRULENCE
Ref.: DETAILED INSIGHTS FROM MICROARRAY AND CRYSTALLOGRAP STUDIES INTO CARBOHYDRATE RECOGNITION BY MICRONEME (MIC1) OF TOXOPLASMA GONDII. PROTEIN SCI. V. 18 1935 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:501;
A:502;
A:503;
A:504;
A:505;
A:506;
A:507;
A:508;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CL A:301;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
GOL A:601;
A:602;
A:603;
A:604;
A:605;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
2FG SIA B:1;
 Valid;
 none;
 submit data
472.395 n/a FC1C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F5A 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TOXOPLASMA GONDII MICRONEMAL PROTEIN 1 3'SIALACNAC1-3 TOXOPLASMA GONDII CELLULAR ADHESION MICRONEMAL PROTEIN TOXOPLASMA GONDII CARBOHYDRATE FLUORINE CELL ADHESION CYTOPLASMIC VESICLEVIRULENCE
Ref.: DETAILED INSIGHTS FROM MICROARRAY AND CRYSTALLOGRAP STUDIES INTO CARBOHYDRATE RECOGNITION BY MICRONEME (MIC1) OF TOXOPLASMA GONDII. PROTEIN SCI. V. 18 1935 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3F53 - 2FG SIA n/a n/a
2 2JH7 - GAL SIA n/a n/a
3 3F5A - NAG GAL SIA n/a n/a
4 2JHD - GAL SIA n/a n/a
5 3F5E - NAG 2FG SIA n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3F53 - 2FG SIA n/a n/a
2 2JH7 - GAL SIA n/a n/a
3 3F5A - NAG GAL SIA n/a n/a
4 2JHD - GAL SIA n/a n/a
5 3F5E - NAG 2FG SIA n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3F53 - 2FG SIA n/a n/a
2 2JH7 - GAL SIA n/a n/a
3 3F5A - NAG GAL SIA n/a n/a
4 2JHD - GAL SIA n/a n/a
5 3F5E - NAG 2FG SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2FG SIA; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 2FG SIA 1 1
2 NAG 2FG SIA 0.744681 0.964286
3 GAL SIA SIA 0.673684 0.877193
4 A2G GAL SIA 0.666667 0.892857
5 GAL 5N6 0.652174 0.892857
6 NAG GAL SIA 0.642857 0.892857
7 MBG NGC 0.612903 0.875
8 SIA CMO 0.607595 0.807018
9 GAL SIA NGA 0.60396 0.892857
10 NGA GAL SIA 0.596154 0.875
11 GAL SIA NGA GAL SIA 0.59434 0.892857
12 GAL NGA GAL SIA 0.59434 0.892857
13 NAG GAL SIA SIA 0.588785 0.877193
14 NAG FUC GAL SIA 0.587156 0.892857
15 NAG GAL NGC 0.584906 0.892857
16 NGS GAL SIA 0.583333 0.714286
17 SIA GAL NGA GAL 0.579439 0.892857
18 NDG GAL SIA SIA 0.574074 0.847458
19 GAL SIA NGA GAL 0.564815 0.877193
20 BGC GAL SIA SIA 0.5625 0.877193
21 MAG FUC GAL SIA 0.558559 0.859649
22 GAL NAG FUC GAL SIA 0.556522 0.892857
23 BGC GAL SIA NGA GAL SIA 0.547826 0.892857
24 GAL SIA 0.543478 0.890909
25 BGC GAL GLA NGA GAL SIA 0.543103 0.892857
26 BGC GAL SIA NAG 0.539823 0.892857
27 NGS FUC GLA SIA 0.537815 0.714286
28 GLC GAL NGC 0.537736 0.890909
29 MNA 0.536585 0.789474
30 BGC GAL SIA NGA GAL 0.529915 0.892857
31 GAL SIA NGA GAL SIA SIA 0.529412 0.877193
32 GAL NGA GAL SIA SIA 0.525 0.877193
33 BGC GAL SIA 0.514019 0.909091
34 NAG SIA 0.510204 0.816667
35 GAL NAG GAL SIA 0.508929 0.877193
36 NGA POL GAL NGC AZI 0.504202 0.735294
37 SIA SIA 0.5 0.859649
38 SLB SIA SIA SIA SIA 0.494845 0.859649
39 SLB SIA SIA 0.494845 0.859649
40 SLB SIA SIA SIA 0.494845 0.859649
41 SIA SIA SIA SIA SIA SIA SIA 0.494845 0.859649
42 NAG GAL PKM 0.491071 0.877193
43 SIA SIA SIA 0.485149 0.859649
44 BGC GAL SIA NGA GAL FUC 0.484375 0.892857
45 BGC GAL SIA NGA SIA 0.480315 0.877193
46 Z3Q GAL 5N6 0.475 0.757576
47 BGC 16C GAL SIA 0.455882 0.757576
48 NAG GAL NAG GAL SIA 0.451613 0.877193
49 WIA SIA 0.45098 0.833333
50 BGC 18C GAL SIA 0.449275 0.757576
51 BGC GAL NAG GAL SIA 0.448 0.877193
52 SIA 0.447059 0.796296
53 SLB 0.447059 0.796296
54 MN0 0.433333 0.789474
55 BGC CEQ GAL SLB NGA GAL SIA SIA 0.432624 0.757576
56 NAG GAL 5N6 0.428571 0.862069
57 CNP 0.423913 0.741379
58 CEQ BGC NGA GAL SIA SIA 0.415493 0.724638
59 SID 0.414894 0.728814
60 NXD 0.40625 0.737705
61 C5P SIA 0.404762 0.649351
62 MUS 0.4 0.741935
Similar Ligands (3D)
Ligand no: 1; Ligand: 2FG SIA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F5A; Ligand: NAG 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: 3f5a.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback