Receptor
PDB id Resolution Class Description Source Keywords
3VY7 2.14 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN PANCREATIC SECRETORY PROTEIN ZG16 (ALPHA-D-MANNOSYL)-L-SERINE HOMO SAPIENS BETA-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR MULTIPLE SUGAR RECOGNITION OF JACALIN-RELATED HUMAN ZG16P LECTIN J.BIOL.CHEM. V. 289 16954 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER MAN A:201;
Valid;
none;
submit data
267.234 n/a O=C([...
CL A:204;
A:203;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VY6 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN PANCREATIC SECRETORY PROTEIN ZG16 LAMINARIBIOSE HOMO SAPIENS BETA-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR MULTIPLE SUGAR RECOGNITION OF JACALIN-RELATED HUMAN ZG16P LECTIN J.BIOL.CHEM. V. 289 16954 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER MAN; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 SER MAN 1 1
2 GAL TNR 0.58209 0.803922
3 NGA SER GAL 0.58209 0.803922
4 A2G SER GAL 0.58209 0.803922
5 GAL SER A2G 0.58209 0.803922
6 RGG 0.557692 0.756098
7 DEG 0.464286 0.638298
8 EBQ 0.448276 0.688889
9 JZR 0.440678 0.6
10 BHG 0.440678 0.6
11 GLC HEX 0.440678 0.6
12 2M8 0.431034 0.780488
13 GAL GCO 0.424242 0.829268
14 EBG 0.423729 0.652174
15 GLA BMA 0.416667 0.72093
16 MAN BMA 0.416667 0.72093
17 GAL GAL 0.416667 0.72093
18 GLA GLC 0.416667 0.72093
19 MAN MAN 0.416667 0.72093
20 LAK 0.416667 0.72093
21 BGC GLA 0.416667 0.72093
22 GLA BGC 0.416667 0.72093
23 BMA GLA 0.416667 0.72093
24 MLB 0.416667 0.72093
25 GAL GLC 0.416667 0.72093
26 GM3 0.4125 0.690909
27 DR4 0.411765 0.62
28 XNS 0.411765 0.62
29 TRE 0.411765 0.72093
30 MBG 0.403846 0.697674
31 MMA 0.403846 0.697674
32 GYP 0.403846 0.697674
33 AMG 0.403846 0.697674
34 BMA MAN MAN 0.403226 0.72093
35 GLC GLC GLC GLC BGC 0.403226 0.72093
36 GLC GLC GLC GLC GLC BGC 0.403226 0.72093
37 CEZ 0.402985 0.804878
38 FEE 0.402439 0.678571
39 0SH 0.402439 0.678571
40 F61 0.402439 0.678571
41 PBS 0.402439 0.678571
42 AGH 0.402439 0.678571
43 GLC Z9N 0.4 0.695652
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VY6; Ligand: BGC BGC; Similar sites found with APoc: 18
This union binding pocket(no: 1) in the query (biounit: 3vy6.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZGS XMM 28.3688
2 1ZGS XMM 28.3688
3 1ZGS XMM 28.3688
4 1ZGS XMM 28.3688
5 1ZGS XMM 28.3688
6 1XXR MAN 29.078
7 1XXR MAN 29.078
8 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 29.078
9 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 29.078
10 1XXR MAN 29.078
11 6FLZ MMA 31.2057
12 6FLZ MMA 31.2057
13 6FLZ MMA 31.2057
14 2BMZ XLM 35.461
15 2BMZ XLM 35.461
16 2BMZ XLM 35.461
17 2BMZ XLM 35.461
18 1C3M MAN MAN 46.8085
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