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
598.511 n/a O=C(N...
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...
View in 3D viewer
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
Ligand no: 1; Ligand: SLB SIA; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA SIA 1 1
2 SLB SIA 1 1
3 SLB SIA SIA 0.985915 1
4 SIA SIA SIA SIA SIA SIA SIA 0.985915 1
5 SIA SIA SIA 0.717647 1
6 SIA SIA GAL 0.648936 0.981132
7 SIA 0.565789 0.826923
8 SLB 0.565789 0.826923
9 SIA SIA GLA BGC 0.554545 0.981132
10 BGC SIA SIA GAL 0.554545 0.981132
11 MNA 0.544304 0.851852
12 SIA SIA GAL NGA GAL SIA 0.521368 0.981132
13 SIA SIA GAL NGA GAL 0.516949 0.981132
14 GAL SIA 0.516129 0.924528
15 SIA GAL 0.516129 0.924528
16 SIA 2FG 0.5 0.859649
17 SIA GAL SIA GLC NGA 0.495935 0.981132
18 SIA GAL SIA BGC NGA 0.495935 0.981132
19 SIA NAG 0.484536 0.910714
20 42D 0.464286 0.8
21 18D 0.464286 0.796296
22 CNP 0.45977 0.767857
23 MUS 0.456311 0.79661
24 SIA GAL NGA 0.449541 0.962264
25 SIA GAL SIA BGC NGA CEQ 0.448529 0.8
26 BGC GAL CEQ SLB NGA GAL SIA SIA 0.445255 0.83871
27 NGA GAL SIA 0.444444 0.962264
28 SIA GAL A2G 0.444444 0.962264
29 NGC 0.440476 0.811321
30 NGE 0.440476 0.811321
31 BGC GAL SIA 0.440367 0.924528
32 GLA GLC SIA 0.440367 0.924528
33 SIA GAL BGC 0.440367 0.924528
34 NAG SIA GAL 0.440367 0.962264
35 BGC SIA GAL 0.440367 0.924528
36 SIA GAL GLC 0.440367 0.924528
37 GAL BGC SIA 0.440367 0.924528
38 MN0 0.436782 0.818182
39 NAG GAL SIA 0.432432 0.944444
40 SIA GAL NAG 0.432432 0.944444
41 SIA NAG GAL 0.428571 0.910714
42 SIA 2FG NAG 0.428571 0.894737
43 GAL SIA NGA GAL SIA 0.422414 0.962264
44 SIA GAL NGA GAL 0.422414 0.962264
45 GAL SIA NGA GAL 0.422414 0.962264
46 SIA GLA NAG FUC 0.420168 0.962264
47 SIA GAL NAG FUC 0.420168 0.962264
48 NDG FUC SIA GAL 0.420168 0.962264
49 FUC NDG GAL SIA 0.420168 0.962264
50 SIA GAL MAG FUC 0.420168 0.962264
51 SIA GAL NDG FUC 0.420168 0.962264
52 NAG FUC SIA GAL 0.420168 0.962264
53 GAL TNR SIA 0.418803 0.910714
54 SID 0.417582 0.785714
55 NGC MBG 0.417476 0.907407
56 SIA GAL NAG GAL 0.417391 0.944444
57 SIA GAL NGS 0.415254 0.761194
58 SIA WIA 0.411765 0.862069
59 SIA NAG GAL GAL 0.410256 0.944444
60 GAL NGA GAL SIA 0.410256 0.944444
61 NXD 0.408602 0.793103
62 SIA GAL NDG SIA 0.40678 0.910714
63 SIA GAL NAG SIA 0.40678 0.944444
64 C5P SIA 0.406504 0.666667
65 425 0.405405 0.662338
66 NAG GAL NGC 0.401709 0.925926
67 NAG GAL FUC GAL SIA 0.4 0.962264
68 79J 0.4 0.849057
Ligand no: 2; Ligand: SLB SIA SIA; Similar ligands found: 65
No: Ligand ECFP6 Tc MDL keys Tc
1 SLB SIA SIA 1 1
2 SIA SIA SIA SIA SIA SIA SIA 1 1
3 SIA SIA 0.985915 1
4 SLB SIA 0.985915 1
5 SIA SIA SIA 0.729412 1
6 SIA SIA GAL 0.659574 0.981132
7 BGC SIA SIA GAL 0.563636 0.981132
8 SIA SIA GLA BGC 0.563636 0.981132
9 SLB 0.558442 0.826923
10 SIA 0.558442 0.826923
11 MNA 0.5375 0.851852
12 SIA SIA GAL NGA GAL SIA 0.529915 0.981132
13 SIA SIA GAL NGA GAL 0.525424 0.981132
14 GAL SIA 0.510638 0.924528
15 SIA GAL 0.510638 0.924528
16 SIA GAL SIA GLC NGA 0.504065 0.981132
17 SIA GAL SIA BGC NGA 0.504065 0.981132
18 SIA 2FG 0.494845 0.859649
19 SIA NAG 0.479592 0.910714
20 18D 0.458824 0.796296
21 42D 0.458824 0.8
22 SIA GAL SIA BGC NGA CEQ 0.455882 0.8
23 CNP 0.454545 0.767857
24 BGC GAL CEQ SLB NGA GAL SIA SIA 0.452555 0.83871
25 MUS 0.451923 0.79661
26 SIA GAL NGA 0.445455 0.962264
27 SIA GAL A2G 0.440367 0.962264
28 NGA GAL SIA 0.440367 0.962264
29 SIA GAL GLC 0.436364 0.924528
30 BGC GAL SIA 0.436364 0.924528
31 GAL BGC SIA 0.436364 0.924528
32 NAG SIA GAL 0.436364 0.962264
33 GLA GLC SIA 0.436364 0.924528
34 SIA GAL BGC 0.436364 0.924528
35 BGC SIA GAL 0.436364 0.924528
36 NGC 0.435294 0.811321
37 NGE 0.435294 0.811321
38 MN0 0.431818 0.818182
39 NAG GAL SIA 0.428571 0.944444
40 SIA GAL NAG 0.428571 0.944444
41 SIA NAG GAL 0.424779 0.910714
42 SIA 2FG NAG 0.424779 0.894737
43 SIA GAL NGA GAL 0.418803 0.962264
44 GAL SIA NGA GAL 0.418803 0.962264
45 GAL SIA NGA GAL SIA 0.418803 0.962264
46 NAG FUC SIA GAL 0.416667 0.962264
47 SIA GAL NDG FUC 0.416667 0.962264
48 SIA GAL NAG FUC 0.416667 0.962264
49 FUC NDG GAL SIA 0.416667 0.962264
50 SIA GLA NAG FUC 0.416667 0.962264
51 NDG FUC SIA GAL 0.416667 0.962264
52 SIA GAL MAG FUC 0.416667 0.962264
53 GAL TNR SIA 0.415254 0.910714
54 SIA GAL NAG GAL 0.413793 0.944444
55 NGC MBG 0.413462 0.907407
56 SID 0.413043 0.785714
57 SIA GAL NGS 0.411765 0.761194
58 SIA WIA 0.407767 0.862069
59 GAL NGA GAL SIA 0.40678 0.944444
60 SIA NAG GAL GAL 0.40678 0.944444
61 NXD 0.404255 0.793103
62 SIA GAL NAG SIA 0.403361 0.944444
63 SIA GAL NDG SIA 0.403361 0.910714
64 C5P SIA 0.403226 0.666667
65 425 0.401786 0.662338
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; 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: 1) in the query (biounit: 3gvl.bio1) has 25 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 SIA; 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 19 residues
No: Leader PDB Ligand Sequence Similarity
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