Receptor
PDB id Resolution Class Description Source Keywords
4DVN 2.38 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE GLYCOPROTEIN ERNS FROM THE PESTIVIR IN COMPLEX WITH 2'-UMP BOVINE VIRAL DIARRHEA VIRUS VIRUS GLYCOPROTEIN T2 RIBONUCLEASE VIRAL PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE PESTIVIRUS ENVELOPE GLYCOP E(RNS) AND MECHANISTIC ANALYSIS OF ITS RIBONUCLEASE ACTIVITY. STRUCTURE V. 20 862 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA BMA C:3;
Invalid;
none;
submit data
342.297 n/a O(C1O...
BMA MAN E:3;
Invalid;
none;
submit data
342.297 n/a O(C1O...
MAN C:4;
E:4;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NAG C:1;
C:2;
A:1106;
A:1107;
A:1108;
E:1;
E:2;
B:1106;
B:1109;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG F:1;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA BMA MAN D:1;
Part of Protein;
none;
submit data
n/a n/a
SO4 A:1114;
A:1115;
A:1116;
A:1117;
B:1110;
B:1111;
B:1112;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
U2P A:1118;
A:1119;
B:1113;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
324.181 C9 H13 N2 O9 P C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DW4 2.23 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE GLYCOPROTEIN ERNS FROM THE PESTIVIR IN COMPLEX WITH 5'-UMP BOVINE VIRAL DIARRHEA VIRUS VIRUS GLYCOPROTEIN T2 RIBONUCLEASE VIRAL PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE PESTIVIRUS ENVELOPE GLYCOP E(RNS) AND MECHANISTIC ANALYSIS OF ITS RIBONUCLEASE ACTIVITY. STRUCTURE V. 20 862 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 4DW3 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 4DW5 - CSQ C18 H24 N5 O12 P S C1=CN(C(=O....
3 4DW4 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 4DVN - U2P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 4DW3 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 4DW5 - CSQ C18 H24 N5 O12 P S C1=CN(C(=O....
3 4DW4 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 4DVN - U2P C9 H13 N2 O9 P C1=CN(C(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 4DW3 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 4DW5 - CSQ C18 H24 N5 O12 P S C1=CN(C(=O....
3 4DW4 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 4DVN - U2P C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U2P; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 U2P 1 1
2 UA3 0.68254 0.953846
3 U3P 0.68254 0.953846
4 UMF 0.621212 0.897059
5 URI 0.590164 0.848485
6 CJB 0.587302 0.80597
7 C2P 0.565217 0.941176
8 DKX 0.537313 0.782609
9 U5P 0.528571 0.939394
10 U 0.528571 0.939394
11 UPU 0.5125 0.925373
12 PUP 0.511628 0.926471
13 UDP 0.506667 0.954545
14 UM3 0.492958 0.897059
15 UPA 0.49 0.828947
16 UTP 0.487179 0.954545
17 44P 0.486486 0.913043
18 U5F 0.481013 0.954545
19 U2G 0.480392 0.810127
20 GUD 0.476744 0.926471
21 UPG 0.476744 0.926471
22 GDU 0.476744 0.926471
23 UFM 0.476744 0.926471
24 2KH 0.4625 0.926471
25 N3E 0.461538 0.743243
26 UPF 0.460674 0.875
27 U2F 0.460674 0.875
28 660 0.45977 0.913043
29 URM 0.45977 0.913043
30 Y6W 0.454545 0.875
31 UVC 0.452055 0.869565
32 UNP 0.451219 0.926471
33 UDP UDP 0.448718 0.895522
34 UFG 0.444444 0.875
35 UTP U U U 0.443182 0.880597
36 DUR 0.441176 0.797101
37 U4S 0.44 0.716216
38 UMP 0.434211 0.884058
39 DU 0.434211 0.884058
40 U U U U 0.431818 0.925373
41 U3S 0.428571 0.716216
42 U2S 0.428571 0.72973
43 CSQ 0.427083 0.837838
44 CSV 0.427083 0.837838
45 3UC 0.425532 0.875
46 UUA 0.42029 0.757576
47 UD1 0.418367 0.913043
48 UD2 0.418367 0.913043
49 U U 0.417582 0.911765
50 UPP 0.41573 0.898551
51 UDH 0.41573 0.851351
52 APU 0.415094 0.84
53 2TU 0.414286 0.760563
54 UDX 0.413043 0.898551
55 UAD 0.413043 0.898551
56 UDM 0.412371 0.9
57 DUD 0.407407 0.898551
58 UGB 0.404255 0.911765
59 UGA 0.404255 0.911765
60 USQ 0.404255 0.78481
61 C3P 0.402597 0.898551
62 G3N 0.4 0.873239
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DW4; Ligand: U5P; 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: 4dw4.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4DW4; Ligand: U5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4dw4.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4DW4; Ligand: U5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4dw4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4DW4; Ligand: U5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4dw4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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