Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SLB A:911;
Valid;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
SLB SIA A:2;
Valid;
none;
submit data
598.511 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 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 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 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; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 NGE 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 FSI 0.515152 0.895833
17 6KL 0.5 0.807692
18 SFJ 0.5 0.875
19 MN0 0.485714 0.895833
20 EQP 0.470588 0.788462
21 AXP 0.470588 0.788462
22 GAL SIA 0.463415 0.86
23 SID 0.459459 0.82
24 SIA SIA SIA 0.453488 0.826923
25 MUS 0.449438 0.796296
26 NXD 0.447368 0.792453
27 SIA WIA 0.447059 0.767857
28 SIA 2FG 0.447059 0.796296
29 SLT 0.44086 0.877551
30 KDO 0.435484 0.704545
31 SIA GAL 0.435294 0.86
32 SIA NAG 0.430233 0.781818
33 4U0 0.427083 0.86
34 4U2 0.425532 0.843137
35 BND 0.416667 0.807692
36 SKD 0.414286 0.875
37 SIA SIA GAL 0.410526 0.811321
38 4U1 0.408163 0.826923
39 E3M 0.402778 0.606061
40 SIA GAL GLC 0.402062 0.86
41 BGC SIA GAL 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 BGC GAL SIA 0.402062 0.86
44 SIA GAL BGC 0.402062 0.86
45 GLA GLC SIA 0.402062 0.86
46 4AM 0.4 0.833333
47 DAN 0.4 0.911111
Ligand no: 2; Ligand: SLB SIA; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA SIA 1 1
2 SLB SIA 1 1
3 SIA SIA SIA SIA SIA SIA SIA 0.985915 1
4 SLB 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 2FG 0.5 0.859649
16 SIA GAL SIA GLC NGA 0.495935 0.981132
17 SIA GAL SIA BGC NGA 0.495935 0.981132
18 SIA GAL 0.489583 0.888889
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 SIA GAL A2G 0.444444 0.962264
28 NGA GAL SIA 0.444444 0.962264
29 NGC 0.440476 0.811321
30 NGE 0.440476 0.811321
31 GLA GLC SIA 0.440367 0.924528
32 SIA GAL BGC 0.440367 0.924528
33 NAG SIA GAL 0.440367 0.962264
34 BGC SIA GAL 0.440367 0.924528
35 SIA GAL GLC 0.440367 0.924528
36 GAL BGC SIA 0.440367 0.924528
37 BGC GAL SIA 0.440367 0.924528
38 MN0 0.436782 0.818182
39 NAG GAL SIA 0.432432 0.944444
40 SIA GAL NAG 0.428571 0.910714
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 NDG FUC SIA GAL 0.420168 0.962264
47 NAG FUC SIA GAL 0.420168 0.962264
48 SIA GAL NDG FUC 0.420168 0.962264
49 SIA GLA NAG FUC 0.420168 0.962264
50 FUC NDG GAL SIA 0.420168 0.962264
51 SIA GAL NAG FUC 0.420168 0.962264
52 SIA GAL MAG FUC 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 NAG SIA 0.40678 0.944444
63 SIA GAL NDG SIA 0.40678 0.910714
64 C5P SIA 0.406504 0.666667
65 425 0.405405 0.662338
66 NAG GAL NGC 0.401709 0.925926
67 79J 0.4 0.849057
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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