Receptor
PDB id Resolution Class Description Source Keywords
2WE3 2 Å EC: 3.6.1.23 EBV DUTPASE INACTIVE MUTANT DELETED OF MOTIF V HUMAN HERPESVIRUS 4 DUTPASE MONOMER HYDROLASE HUMAN HERPES VIRUS EPSTEIN- BARR VIRUS NUCLEOTIDE METABOLISM
Ref.: THE FLEXIBLE MOTIF V OF EPSTEIN-BARR VIRUS DEOXYURIDINE 5'-TRIPHOSPHATE PYROPHOSPHATASE IS ESSENTIAL FOR CATALYSIS. J.BIOL.CHEM. V. 284 25280 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DUT MG A:1257;
 Valid;
 none;
 submit data
488.414 n/a P(=O)...
SO4 A:1259;
A:1260;
 Invalid;
Invalid;
 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
2WE0 2.01 Å EC: 3.6.1.23 EBV DUTPASE MUTANT CYS4SER HUMAN HERPESVIRUS 4 DUTPASE MONOMER HYDROLASE HUMAN HERPES VIRUS EPSTEIN- BARR VIRUS NUCLEOTIDE METABOLISM
Ref.: THE FLEXIBLE MOTIF V OF EPSTEIN-BARR VIRUS DEOXYURIDINE 5'-TRIPHOSPHATE PYROPHOSPHATASE IS ESSENTIAL FOR CATALYSIS. J.BIOL.CHEM. V. 284 25280 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2WE1 - UMP C9 H13 N2 O8 P C1[C@@H]([....
2 2WE0 Kd = 37 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
3 2BSY - UMP C9 H13 N2 O8 P C1[C@@H]([....
4 2WE3 - DUT MG n/a n/a
5 2WE2 - UMP C9 H13 N2 O8 P C1[C@@H]([....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2WE1 - UMP C9 H13 N2 O8 P C1[C@@H]([....
2 2WE0 Kd = 37 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
3 2BSY - UMP C9 H13 N2 O8 P C1[C@@H]([....
4 2WE3 - DUT MG n/a n/a
5 2WE2 - UMP C9 H13 N2 O8 P C1[C@@H]([....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2WE1 - UMP C9 H13 N2 O8 P C1[C@@H]([....
2 2WE0 Kd = 37 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
3 2BSY - UMP C9 H13 N2 O8 P C1[C@@H]([....
4 2WE3 - DUT MG n/a n/a
5 2WE2 - UMP C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DUT MG; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 DUT MG 1 1
2 UMP AF3 PO4 0.696203 0.915493
3 UMP 0.694444 0.955224
4 DU 0.694444 0.955224
5 DUD 0.693333 0.941176
6 UC5 0.671053 0.927536
7 DUT 0.6375 0.941176
8 TTP MG 0.634146 0.955882
9 DUN 0.632911 0.914286
10 DUP 0.62963 0.914286
11 DCP MG 0.614458 0.927536
12 DUS 0.6 0.84
13 DUR 0.56338 0.865672
14 DU DU DU DU BRU DU DU 0.539216 0.902778
15 UTP U U U 0.521739 0.895522
16 UDP UDP 0.5 0.910448
17 UM3 0.4875 0.911765
18 DDU 0.453333 0.764706
19 DUA 0.450549 0.794521
20 DDN 0.440476 0.955224
21 DU3 0.434783 0.791667
22 UDP GAL 0.43 0.859155
23 DU4 0.425532 0.77027
24 5IU 0.420455 0.888889
25 TYD 0.417582 0.901408
26 UFP 0.413793 0.888889
27 BRU 0.409091 0.888889
28 TMP 0.409091 0.914286
29 5HU 0.409091 0.901408
30 DU DU DU DU BRU DA DU 0.407407 0.802469
31 YYY 0.402174 0.875
32 4TA 0.4 0.8125
33 UDP 0.4 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: DUT MG; Similar ligands found: 5
No: Ligand Similarity coefficient
1 TTP 0.9338
2 MG TTP 0.9237
3 UTP 0.9178
4 ANP 0.8783
5 ATP 0.8599
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WE0; Ligand: UMP; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 2we0.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6KZ6 UMP 10.2151
2 6KZ6 UMP 10.2151
3 6KY9 UMP 11.1111
4 6KY9 UMP 11.1111
5 6KY9 UMP 11.1111
6 1Q5H DUD 14.966
7 5Y5Q DUT 17.8161
8 5Y5Q DUT 17.8161
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