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Receptor
PDB id Resolution Class Description Source Keywords
5E65 2.2 Å EC: 7.-.-.- THE COMPLEX STRUCTURE OF HEMAGGLUTININ-ESTERASE-FUSION MUTAN FROM THE INFLUENZA D VIRUS WITH RECEPTOR ANALOG 9-O-AC-3'SL INFLUENZA D VIRUS (D/SWINE/OKLAHOMA/13ORGANISM_TAXID: 1173138 INFLUENZA VIRUS HEF MEMBRANE HYDROLASE
Ref.: AN OPEN RECEPTOR-BINDING CAVITY OF HEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN FROM NEWLY-IDENTIFIED INFLUENZA D VIRUS: BASIS FOR ITS B TROPISM PLOS PATHOG. V. 12 05411 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG A:713;
C:709;
C:707;
B:701;
D:701;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN MAN MAN A:707;
C:701;
A:701;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data n/a n/a n/a n/a
NAG D:703;
B:703;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
5N6 GAL C:711;
A:715;
Valid;
Valid;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E65 2.2 Å EC: 7.-.-.- THE COMPLEX STRUCTURE OF HEMAGGLUTININ-ESTERASE-FUSION MUTAN FROM THE INFLUENZA D VIRUS WITH RECEPTOR ANALOG 9-O-AC-3'SL INFLUENZA D VIRUS (D/SWINE/OKLAHOMA/13ORGANISM_TAXID: 1173138 INFLUENZA VIRUS HEF MEMBRANE HYDROLASE
Ref.: AN OPEN RECEPTOR-BINDING CAVITY OF HEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN FROM NEWLY-IDENTIFIED INFLUENZA D VIRUS: BASIS FOR ITS B TROPISM PLOS PATHOG. V. 12 05411 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5E65 - 5N6 GAL n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5E62 - Z3Q GAL 5N6 n/a n/a
2 5E65 - 5N6 GAL n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5E62 - Z3Q GAL 5N6 n/a n/a
2 5E65 - 5N6 GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5N6 GAL; 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 : 5E65; Ligand: 5N6 GAL; Similar sites found with APoc: 86
This union binding pocket(no: 1) in the query (biounit: 5e65.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1NZY BCA 1.85874
2 4OGN 2U5 1.90476
3 1NYW DAU 2.53807
4 1SG4 CO8 2.69231
5 5XVG 8FX 3.41297
6 1N2A GTS 3.48259
7 3SCH TB6 3.53535
8 4BFM ANP 3.61446
9 4NW6 2NS 3.61446
10 4URF NAD 4.43548
11 3NW7 LGV 4.81928
12 4ZCC NAI 4.81928
13 4ZCC FAD 4.81928
14 1U5R ATP 4.81928
15 4ZW3 4S9 4.81928
16 3HAZ FAD 4.81928
17 4KBA 1QM 4.81928
18 3AFN NAP 4.81928
19 5W4W 9WG 4.81928
20 4Y93 746 4.81928
21 6HTO MET 4.81928
22 6HTO 5AD 4.81928
23 3FU7 D2M 4.81928
24 1EWF PC1 4.82456
25 4RHE FMN 5.26316
26 5N9T 8QQ 5.42169
27 4B2G V1N 5.42169
28 5LVP ATP 5.78778
29 1OPK P16 6.0241
30 2C49 ADN 6.29139
31 4ITU 1HS 6.3197
32 3KIF GDL 6.60377
33 5AXH GLC GLC GLC GLC 6.62651
34 4A1O AMZ 6.62651
35 1QM5 GLC GLC GLC PO4 SGC GLC 6.62651
36 5HZ9 5M8 6.66667
37 2YAK OSV 7.01754
38 1D6H COA 7.22892
39 4NE2 SH2 7.48503
40 6CDG PRO GLY LEU TRP LYS SER 7.78443
41 3ZS7 ATP 7.83133
42 3NRZ FAD 7.83133
43 1F9A ATP 7.83133
44 4POW OP1 7.83133
45 2Q2V NAD 7.84314
46 5NTW 98N 8.56031
47 3HCN CHD 9.03614
48 1P7T ACO 9.03614
49 3OID NDP 9.30233
50 1IY8 NAD 9.3633
51 3VZ3 SSN 9.63855
52 1PHK ATP 9.63855
53 2OGA PGU 9.63855
54 2QTR NXX 10.241
55 3DEK RXD 10.4418
56 2GU8 796 10.8434
57 4WB6 ATP 10.8434
58 2QCS ANP 10.8434
59 3FHI ANP 10.8434
60 6A9F 9BF 11.2108
61 1MJJ HAL 11.4537
62 5DQ8 FLF 11.6667
63 1MH5 HAL 11.7391
64 6FNU FAD 13.253
65 4I3V NAD 13.8554
66 6FHO FAD 15.0602
67 2C29 NAP 15.0602
68 6FFK D7Z 21.5686
69 1JSH SIA GAL 37.9518
70 4D00 SIA GAL NAG 38.5542
71 1RVX SIA GAL NAG 39.759
72 2WR1 SIA GAL NAG 39.759
73 2YP9 SIA CMO 40.3614
74 1RV0 NDG 40.3614
75 1RV0 DAN 40.3614
76 6AOV SIA GAL NAG GAL NAG 40.3614
77 4LKK SIA GAL 40.9639
78 5VMC SIA GAL NAG 40.9639
79 4BH1 SIA GAL NAG 41.5663
80 4WA2 SIA GAL NAG 41.5663
81 5XLA SIA 42.1687
82 5XL4 SIA 42.1687
83 3UBQ SIA GAL 42.7711
84 3I27 SID 44.5312
85 5T0B SIA GAL NAG 44.5783
86 4M44 SIA GAL NAG GAL 45.7831
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