Receptor
PDB id Resolution Class Description Source Keywords
3CA6 1.4 Å NON-ENZYME: OTHER SAMBUCUS NIGRA AGGLUTININ II (SNA-II)- TETRAGONAL CRYSTAL FO COMPLEXED TO TN ANTIGEN SAMBUCUS NIGRA BETA-TREFOIL RICIN-B DOMAIN GLYCOSYLATION LECTIN GLYCOPRSUGAR BINDING PROTEIN PLANT PROTEIN
Ref.: STRUCTURAL BASIS FOR SUGAR RECOGNITION, INCLUDING T CARCINOMA ANTIGEN, BY THE LECTIN SNA-II FROM SAMBUC PROTEINS V. 75 89 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:910;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
NAG A:266;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG FUC NAG B:1;
C:1;
 Invalid;
Invalid;
 none;
none;
 submit data
n/a n/a
NAG NAG D:1;
 Invalid;
 none;
 submit data
408.404 n/a O=C(N...
SER A2G A:911;
 Valid;
 none;
 submit data
308.287 n/a O=C([...
SO4 A:901;
A:902;
A:903;
A:904;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CA6 1.4 Å NON-ENZYME: OTHER SAMBUCUS NIGRA AGGLUTININ II (SNA-II)- TETRAGONAL CRYSTAL FO COMPLEXED TO TN ANTIGEN SAMBUCUS NIGRA BETA-TREFOIL RICIN-B DOMAIN GLYCOSYLATION LECTIN GLYCOPRSUGAR BINDING PROTEIN PLANT PROTEIN
Ref.: STRUCTURAL BASIS FOR SUGAR RECOGNITION, INCLUDING T CARCINOMA ANTIGEN, BY THE LECTIN SNA-II FROM SAMBUC PROTEINS V. 75 89 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3CA4 - BGC GAL n/a n/a
2 3CA3 - NGA C8 H15 N O6 CC(=O)N[C@....
3 3CA1 - GLA C6 H12 O6 C([C@@H]1[....
4 3CA6 - SER A2G n/a n/a
5 3CAH - FCA C6 H12 O5 C[C@@H]1[C....
6 3CA5 - AMG C7 H14 O6 CO[C@@H]1[....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3CA4 - BGC GAL n/a n/a
2 3CA3 - NGA C8 H15 N O6 CC(=O)N[C@....
3 3CA1 - GLA C6 H12 O6 C([C@@H]1[....
4 3CA6 - SER A2G n/a n/a
5 3CAH - FCA C6 H12 O5 C[C@@H]1[C....
6 3CA5 - AMG C7 H14 O6 CO[C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3CA4 - BGC GAL n/a n/a
2 3CA3 - NGA C8 H15 N O6 CC(=O)N[C@....
3 3CA1 - GLA C6 H12 O6 C([C@@H]1[....
4 3CA6 - SER A2G n/a n/a
5 3CAH - FCA C6 H12 O5 C[C@@H]1[C....
6 3CA5 - AMG C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER A2G; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 SER A2G 1 1
2 3YW 0.683333 0.877551
3 TNR 0.650794 0.979592
4 SER MAN 0.6 0.836735
5 2F8 0.559322 0.823529
6 MAG 0.559322 0.823529
7 GN1 0.548387 0.728814
8 NG1 0.548387 0.728814
9 GAL NAG 0.536232 0.843137
10 GYU 0.507246 0.839286
11 A2G THR GAL NAG 0.488636 0.886792
12 NDG NAG 0.486111 0.849057
13 A2G SER GAL 0.474359 0.960784
14 MBG A2G 0.472222 0.811321
15 MAN NAG 0.471429 0.843137
16 GAL NGA 0.465753 0.826923
17 ACE SER SER VAL GLY A2G 0.460674 0.854545
18 A2G NAG 0.458333 0.865385
19 MBG NAG 0.458333 0.811321
20 GDL NAG 0.458333 0.865385
21 AMU NAG 0.45679 0.867925
22 A2G GAL NAG 0.45679 0.865385
23 NGA THR GAL NAG 0.450549 0.886792
24 HD4 0.448718 0.75
25 6ZC 0.447368 0.692308
26 LEC 0.447368 0.692308
27 57S 0.443038 0.75
28 GYT 0.435897 0.770492
29 NAG NAG NAG NAG NAG 0.434211 0.849057
30 NDG NAG NAG NAG NAG 0.434211 0.849057
31 NAG NAG NAG NAG NAG NAG 0.434211 0.849057
32 NAG NAG NAG NAG NAG NAG NAG NAG 0.434211 0.849057
33 NAG AH0 0.430233 0.807018
34 A2G 0.42623 0.816327
35 NAG 0.42623 0.816327
36 HSQ 0.42623 0.816327
37 BM3 0.42623 0.816327
38 NDG 0.42623 0.816327
39 NGA 0.42623 0.816327
40 GAL NGA A2G 0.423077 0.865385
41 Z3Q NGA 0.421687 0.770492
42 AH0 NAG 0.421687 0.775862
43 NAG NGO 0.419753 0.821429
44 BGC GAL NGA 0.417722 0.843137
45 3QL 0.417722 0.803571
46 AMV NAG AMU NAG 0.41573 0.851852
47 BMX BMX BMX BM3 0.414634 0.766667
48 NM9 NAG 0.414634 0.851852
49 MAN MAN NAG 0.414634 0.846154
50 ACA SER SER VAL GLY A2G 0.411765 0.844828
51 MMA MAN NAG 0.407407 0.811321
52 GAL FUC A2G 0.402439 0.826923
53 BMA MAN NAG 0.402439 0.843137
Similar Ligands (3D)
Ligand no: 1; Ligand: SER A2G; Similar ligands found: 3
No: Ligand Similarity coefficient
1 PDA 0.8615
2 PLI 0.8560
3 0JO 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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