-->
Receptor
PDB id Resolution Class Description Source Keywords
1F7K 2.2 Å EC: 3.6.1.23 CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYST FELINE IMMUNODEFICIENCY VIRUS EIGHT STRANDED BETA BARREL PROTEIN VIRAL PROTEIN HYDROLASE
Ref.: STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THR CRYSTAL FORMS. ACTA CRYSTALLOGR.,SECT.D V. 56 1100 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:701;
A:703;
B:702;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
UMP A:704;
B:703;
Valid;
Valid;
none;
none;
Ki = 15 uM
308.182 C9 H13 N2 O8 P C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F7K 2.2 Å EC: 3.6.1.23 CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYST FELINE IMMUNODEFICIENCY VIRUS EIGHT STRANDED BETA BARREL PROTEIN VIRAL PROTEIN HYDROLASE
Ref.: STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THR CRYSTAL FORMS. ACTA CRYSTALLOGR.,SECT.D V. 56 1100 2000
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1F7K Ki = 15 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
2 1F7R - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 1F7N - UMP C9 H13 N2 O8 P C1[C@@H]([....
4 1F7Q - DUT C9 H15 N2 O14 P3 C1[C@@H]([....
5 1F7P - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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 1F7K Ki = 15 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
2 1F7R - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 1F7N - UMP C9 H13 N2 O8 P C1[C@@H]([....
4 1F7Q - DUT C9 H15 N2 O14 P3 C1[C@@H]([....
5 1F7P - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1F7K Ki = 15 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
2 1F7R - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UMP; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 DU 1 1
2 UMP 1 1
3 DUD 0.8 0.985075
4 UC5 0.772727 0.970588
5 DUT 0.753623 0.985075
6 DUN 0.75 0.956522
7 DUP 0.742857 0.956522
8 DUS 0.692308 0.853333
9 DUR 0.683333 0.852941
10 DDN 0.632353 1
11 UFP 0.591549 0.929577
12 TMP 0.583333 0.956522
13 BRU 0.583333 0.929577
14 5HU 0.583333 0.942857
15 UM3 0.57971 0.955224
16 5IU 0.575342 0.929577
17 DC 0.561644 0.928571
18 DCM 0.561644 0.928571
19 BVP 0.531646 0.942857
20 DU DU DU DU BRU DU DU 0.53125 0.864865
21 U 0.527778 0.911765
22 U5P 0.527778 0.911765
23 DDU 0.523077 0.753623
24 UMC 0.520548 0.941176
25 QBT 0.493333 0.927536
26 DUA 0.487805 0.783784
27 DU3 0.487805 0.780822
28 DU4 0.47619 0.76
29 TYD 0.469136 0.942857
30 YYY 0.451219 0.915493
31 UDP 0.45 0.898551
32 TTP 0.447059 0.942857
33 8OG 0.435294 0.835443
34 U3P 0.434211 0.897059
35 UA3 0.434211 0.897059
36 U2P 0.434211 0.884058
37 UTP 0.433735 0.898551
38 44P 0.43038 0.914286
39 DCP 0.430233 0.915493
40 2KH 0.411765 0.873239
41 DUX 0.411765 0.756757
42 UMF 0.410256 0.84507
43 139 0.409091 0.8
44 UPU 0.409091 0.871429
45 URI 0.408451 0.771429
46 TBD 0.406977 0.90411
47 DU DU DU DU BRU DA DU 0.40625 0.771084
48 PUA 0.405172 0.833333
49 UNP 0.402299 0.873239
50 UDX 0.4 0.873239
51 PUP 0.4 0.955882
52 UAD 0.4 0.873239
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F7K; Ligand: UMP; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 1f7k.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX0 ALA LYS ALA ILE ALA None
2 1BKJ FMN 1.47059
3 2GU8 796 2.20588
4 3G5K BB2 2.94118
5 2Z49 AMG 4.41176
6 3KV8 FAH 5.88235
7 1FLJ GSH 8.08823
8 4B2D SER 8.08823
9 3HRD NIO 13.2353
10 5Y6Q FAD 20.5882
11 1XS1 DUT 26.4706
12 2QXX TTP 30.8824
13 5Y5Q DUT 36.0294
Pocket No.: 2; Query (leader) PDB : 1F7K; Ligand: UMP; 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: 1f7k.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1F7K; Ligand: UMP; 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: 1f7k.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1F7K; Ligand: UMP; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 1f7k.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5TVI O8N None
2 6F5W KG1 11.7647
Pocket No.: 5; Query (leader) PDB : 1F7K; Ligand: UMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1f7k.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1F7K; Ligand: UMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1f7k.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1F7K; Ligand: UMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1f7k.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback