Receptor
PDB id Resolution Class Description Source Keywords
2YP9 1.79 Å NON-ENZYME: OTHER HAEMAGGLUTININ OF 2005 HUMAN H3N2 VIRUS IN COMPLEX WITH AVIA ANALOGUE 3SLN INFLUENZA A VIRUS VIRAL PROTEIN RECEPTOR BINDING MEMBRANE FUSION INFLUENZA EVOLUTION GLYCOPROTEIN
Ref.: EVOLUTION OF THE RECEPTOR BINDING PROPERTIES OF THE INFLUENZA A(H3N2) HEMAGGLUTININ. PROC.NATL.ACAD.SCI.USA V. 109 21474 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE A:1504;
A:1505;
A:1506;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
NAG A:1038;
A:1063;
A:1126;
A:1133;
A:1285;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:1246;
Invalid;
none;
submit data
408.404 n/a O=C(N...
NAG NAG MAN A:1165;
Invalid;
none;
submit data
n/a n/a
SIA CMO A:1508;
Valid;
none;
submit data
n/a n/a
TAM A:1507;
Invalid;
none;
submit data
163.215 C7 H17 N O3 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YP9 1.79 Å NON-ENZYME: OTHER HAEMAGGLUTININ OF 2005 HUMAN H3N2 VIRUS IN COMPLEX WITH AVIA ANALOGUE 3SLN INFLUENZA A VIRUS VIRAL PROTEIN RECEPTOR BINDING MEMBRANE FUSION INFLUENZA EVOLUTION GLYCOPROTEIN
Ref.: EVOLUTION OF THE RECEPTOR BINDING PROPERTIES OF THE INFLUENZA A(H3N2) HEMAGGLUTININ. PROC.NATL.ACAD.SCI.USA V. 109 21474 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2YP8 - SIA C11 H19 N O9 CC(=O)N[C@....
2 2YP9 - SIA CMO n/a n/a
3 2YP4 - SIA GAL NAG GAL BGC n/a n/a
4 4WEA - SIA C11 H19 N O9 CC(=O)N[C@....
5 2YP5 - SIA GAL n/a n/a
6 2YP3 - SIA GAL NAG n/a n/a
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 4WA2 Kd = 14.19 uM SIA GAL NAG n/a n/a
2 2YP8 - SIA C11 H19 N O9 CC(=O)N[C@....
3 2YP9 - SIA CMO n/a n/a
4 2YP4 - SIA GAL NAG GAL BGC n/a n/a
5 4WEA - SIA C11 H19 N O9 CC(=O)N[C@....
6 2YP5 - SIA GAL n/a n/a
7 2YP3 - SIA GAL NAG n/a n/a
8 5XLA - SIA C11 H19 N O9 CC(=O)N[C@....
9 5XL9 - SIA C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 2WR1 - SIA GAL NAG n/a n/a
2 2WR4 - SIA GAL NAG n/a n/a
3 2WR2 - SIA GAL NAG n/a n/a
4 2WR3 - SIA GAL NAG n/a n/a
5 2WR7 - SIA GAL NAG GAL n/a n/a
6 4WA2 Kd = 14.19 uM SIA GAL NAG n/a n/a
7 2YP8 - SIA C11 H19 N O9 CC(=O)N[C@....
8 2YP9 - SIA CMO n/a n/a
9 2YP4 - SIA GAL NAG GAL BGC n/a n/a
10 4WEA - SIA C11 H19 N O9 CC(=O)N[C@....
11 2YP5 - SIA GAL n/a n/a
12 2YP3 - SIA GAL NAG n/a n/a
13 5XLA - SIA C11 H19 N O9 CC(=O)N[C@....
14 5XL9 - SIA C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA CMO; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YP9; Ligand: SIA CMO; 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: 2yp9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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