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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: SER MAN; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 SER MAN 1 1
2 SER A2G 0.6 0.836735
3 RGG 0.557692 0.756098
4 DEG 0.464286 0.638298
5 EBQ 0.448276 0.688889
6 J5B 0.448276 0.688889
7 BHG 0.440678 0.6
8 JZR 0.440678 0.6
9 HEX GLC 0.440678 0.6
10 2M8 0.431034 0.780488
11 GCO GAL 0.424242 0.829268
12 GM3 0.4125 0.690909
13 XNS 0.411765 0.62
14 DR4 0.411765 0.62
15 MMA MAN 0.409836 0.688889
16 A2G SER GAL 0.407895 0.803922
17 GYP 0.403846 0.697674
18 MBG 0.403846 0.697674
19 MMA 0.403846 0.697674
20 AMG 0.403846 0.697674
21 BGC GLC GLC GLC GLC 0.403226 0.72093
22 BGC GLC GLC GLC GLC GLC 0.403226 0.72093
23 CEZ 0.402985 0.804878
24 FEE 0.402439 0.678571
25 AGH 0.402439 0.678571
26 F61 0.402439 0.678571
27 0SH 0.402439 0.678571
28 PBS 0.402439 0.678571
29 Z9N GLC 0.4 0.695652
Similar Ligands (3D)
Ligand no: 1; Ligand: SER MAN; Similar ligands found: 12
No: Ligand Similarity coefficient
1 M3N 0.9325
2 7D1 MAN 0.9120
3 MAN IFM 0.9085
4 DGO MAN 0.9036
5 XYP GCU 0.8931
6 M6P 0.8868
7 MAN MAN 0.8766
8 IFM MAN 0.8752
9 DMJ MAN 0.8708
10 MAN G63 0.8652
11 BMA MAN 0.8603
12 A6P 0.8585
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: 14
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 1C3M MAN MAN 46.8085
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