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Receptor
PDB id Resolution Class Description Source Keywords
2YP9 1.79 Å NON-ENZYME: OTHER HAEMAGGLUTININ OF 2005 HUMAN H3N2 VIRUS IN COMPLEX WITH AVIAN RECEPTOR 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 n/a n/a
SIA CMO A:1508;
Valid;
none;
submit data n/a n/a 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 AVIAN RECEPTOR 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 1443 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 1205 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 298 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: 68
This union binding pocket(no: 1) in the query (biounit: 2yp9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2VHW NAI 1.59151
2 4U0I 0LI 1.90476
3 1J5P NAD 1.97628
4 1PS9 FMN 1.98807
5 6A1G 9OL 2.22222
6 2C5A NAD 2.37467
7 2C5A GDC 2.37467
8 3Q9T FAY 2.58449
9 3ZOK NAD 2.6455
10 2ZXG S23 2.7833
11 1EQ2 NAP 2.90323
12 3NW7 LGV 2.9316
13 3WG6 NDP 2.9316
14 5N81 8Q2 3.0445
15 5O0B 9FE 3.08642
16 4J7U YTZ 3.125
17 4J7U NAP 3.125
18 4I5I NAD 3.13589
19 1NVM NAD 3.18841
20 4KXQ APR 3.20285
21 5A89 FMN 3.20513
22 3TKY N7I 3.26087
23 5USZ SKE 3.46021
24 2NYA MGD 3.57853
25 3ALN ANP 3.66972
26 5LJB RTL 3.7037
27 1MO9 FAD 3.77734
28 3VX3 ADP 4.03226
29 4KWI 1TJ 4.18251
30 1PI5 SM2 4.18994
31 2RKV COA 4.43459
32 4MPO AMP 4.57516
33 5OCS FMN 4.58221
34 2VGK REZ 4.70348
35 4K2G 1OQ 4.70588
36 1QX4 FAD 4.74453
37 2J4K U5P 4.86726
38 3U2U UDP 4.94297
39 1S7G NAD 5.13834
40 3C6K MTA 5.24934
41 3C6K SPD 5.24934
42 4KXL 6C6 5.26316
43 4P5E N6P 5.26316
44 5UR0 NAD 5.44413
45 5DM1 5D7 5.61798
46 5DM1 SAH 5.61798
47 2QM9 TDZ 5.80645
48 4UUU SAM 5.80645
49 4NW6 2NS 5.88235
50 1SR7 MOF 6.17761
51 1UMP SQA 6.56064
52 5D48 L96 6.57895
53 4OIV XX9 6.63717
54 5HZ9 5M8 6.66667
55 1OPB RET 6.71642
56 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 6.73759
57 4QYN RTL 6.76692
58 4NB5 2JT 7.60234
59 4OGN 2U5 7.61905
60 4ZCC NAI 10.7143
61 4ZCC FAD 10.7143
62 1ZK4 AC0 11.9522
63 1ZK4 NAP 11.9522
64 4M1U A2G MBG 12.8571
65 5OJI NAP 14.2308
66 5OJI ISN 14.2308
67 5E65 5N6 GAL 40.3614
68 5E62 Z3Q GAL 5N6 44.2953
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