Receptor
PDB id Resolution Class Description Source Keywords
3GVK 1.84 Å EC: 3.2.1.129 CRYSTAL STRUCTURE OF ENDO-NEURAMINIDASE NF MUTANT ENTEROBACTERIA PHAGE K1F ENDO NEURAMINIDASE POLYSIALIC ACID TRIPLE-BETA HELIX GLYCHYDROLASE
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION AND CLEAVAGE O POLYSIALIC ACID BY THE BACTERIOPHAGE K1F TAILSPIKE ENDONF. J.MOL.BIOL. V. 397 341 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:916;
B:916;
C:916;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
SLB SIA F:1;
L:1;
I:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
n/a n/a
SLB SIA SIA H:1;
J:1;
G:1;
E:1;
D:1;
K:1;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
888.759 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GVL 1.41 Å EC: 3.2.1.129 CRYSTAL STRUCTURE OF ENDO-NEURAMINIDASENF ENTEROBACTERIA PHAGE K1F ENDO-NEURAMINIDASE POLYSIALIC ACID TRIPLE-BETA HELIX GLYCHYDROLASE
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION AND CLEAVAGE O POLYSIALIC ACID BY THE BACTERIOPHAGE K1F TAILSPIKE ENDONF. J.MOL.BIOL. V. 397 341 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JU4 - SLB C11 H19 N O9 CC(=O)N[C@....
2 3GVJ - SLB SIA SIA SIA n/a n/a
3 3GVL - SLB SIA n/a n/a
4 3GVK - SLB SIA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JU4 - SLB C11 H19 N O9 CC(=O)N[C@....
2 3GVJ - SLB SIA SIA SIA n/a n/a
3 3GVL - SLB SIA n/a n/a
4 3GVK - SLB SIA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JU4 - SLB C11 H19 N O9 CC(=O)N[C@....
2 3GVJ - SLB SIA SIA SIA n/a n/a
3 3GVL - SLB SIA n/a n/a
4 3GVK - SLB SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SLB SIA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: SLB SIA SIA; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 SLB SIA SIA SIA SIA 1 1
2 SLB SIA SIA SIA 1 1
3 SIA SIA SIA SIA SIA SIA SIA 1 1
4 SLB SIA SIA 1 1
5 SIA SIA 0.985915 1
6 SIA SIA SIA 0.729412 1
7 GAL SIA SIA 0.659574 0.981132
8 SIA CMO 0.631579 0.87037
9 BGC GAL SIA SIA 0.563636 0.981132
10 SIA 0.558442 0.826923
11 SLB 0.558442 0.826923
12 MNA 0.5375 0.851852
13 GAL SIA NGA GAL SIA SIA 0.529915 0.981132
14 GAL NGA GAL SIA SIA 0.525424 0.981132
15 GAL SIA 0.51087 0.888889
16 BGC GAL SIA NGA SIA 0.504065 0.981132
17 2FG SIA 0.494845 0.859649
18 NAG SIA 0.479592 0.910714
19 18D 0.458824 0.796296
20 42D 0.458824 0.8
21 CEQ BGC NGA GAL SIA SIA 0.455882 0.8
22 CNP 0.454545 0.767857
23 BGC CEQ GAL SLB NGA GAL SIA SIA 0.452555 0.83871
24 MUS 0.451923 0.79661
25 GAL SIA NGA 0.445455 0.962264
26 NGA GAL SIA 0.442478 0.980769
27 A2G GAL SIA 0.440367 0.962264
28 NAG GAL SIA 0.436364 0.962264
29 NGC 0.435294 0.811321
30 NGE 0.435294 0.811321
31 BGC GAL SIA 0.432432 0.907407
32 MN0 0.431818 0.818182
33 NAG 2FG SIA 0.424779 0.894737
34 GAL 5N6 0.419048 0.925926
35 GAL SIA NGA GAL SIA 0.418803 0.962264
36 SIA GAL NGA GAL 0.418803 0.962264
37 NAG FUC GAL SIA 0.416667 0.962264
38 MAG FUC GAL SIA 0.416667 0.962264
39 MBG NGC 0.413462 0.907407
40 SID 0.413043 0.785714
41 NGS GAL SIA 0.411765 0.761194
42 WIA SIA 0.407767 0.862069
43 GAL NAG GAL SIA 0.40678 0.944444
44 GAL SIA NGA GAL 0.40678 0.944444
45 GAL NGA GAL SIA 0.40678 0.962264
46 NXD 0.404255 0.793103
47 NDG GAL SIA SIA 0.403361 0.910714
48 NAG GAL SIA SIA 0.403361 0.944444
49 C5P SIA 0.403226 0.666667
50 425 0.401786 0.662338
Similar Ligands (3D)
Ligand no: 1; Ligand: SLB SIA; Similar ligands found: 2
No: Ligand Similarity coefficient
1 SLB SIA 1.0000
2 SIA SIA 0.8744
Ligand no: 2; Ligand: SLB SIA 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 : 3GVL; Ligand: SLB 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: 3gvl.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GVL; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3gvl.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3GVL; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3gvl.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3GVL; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3gvl.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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