Receptor
PDB id Resolution Class Description Source Keywords
5OO5 1.78 Å EC: 5.-.-.- STREPTOMYCES PAC13 WITH URIDINE URONIC ACID STREPTOMYCES COERULEORUBIDUS PAC13 DEHYDRATASE PACIDAMYCIN BIOSYNTHETIC PROTEIN
Ref.: PAC13 IS A SMALL, MONOMERIC DEHYDRATASE THAT MEDIAT FORMATION OF THE 3'-DEOXY NUCLEOSIDE OF PACIDAMYCIN ANGEW. CHEM. INT. ED. ENGL. V. 56 12492 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UUA A:201;
Valid;
none;
submit data
258.185 C9 H10 N2 O7 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OO5 1.78 Å EC: 5.-.-.- STREPTOMYCES PAC13 WITH URIDINE URONIC ACID STREPTOMYCES COERULEORUBIDUS PAC13 DEHYDRATASE PACIDAMYCIN BIOSYNTHETIC PROTEIN
Ref.: PAC13 IS A SMALL, MONOMERIC DEHYDRATASE THAT MEDIAT FORMATION OF THE 3'-DEOXY NUCLEOSIDE OF PACIDAMYCIN ANGEW. CHEM. INT. ED. ENGL. V. 56 12492 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 5OO8 - URI C9 H12 N2 O6 C1=CN(C(=O....
2 5OO5 - UUA C9 H10 N2 O7 C1=CN(C(=O....
3 5OOA - URI C9 H12 N2 O6 C1=CN(C(=O....
4 5OO9 - URI C9 H12 N2 O6 C1=CN(C(=O....
5 5OO4 - URI C9 H12 N2 O6 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 27 families.
1 5OO8 - URI C9 H12 N2 O6 C1=CN(C(=O....
2 5OO5 - UUA C9 H10 N2 O7 C1=CN(C(=O....
3 5OOA - URI C9 H12 N2 O6 C1=CN(C(=O....
4 5OO9 - URI C9 H12 N2 O6 C1=CN(C(=O....
5 5OO4 - URI C9 H12 N2 O6 C1=CN(C(=O....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 5OO8 - URI C9 H12 N2 O6 C1=CN(C(=O....
2 5OO5 - UUA C9 H10 N2 O7 C1=CN(C(=O....
3 5OOA - URI C9 H12 N2 O6 C1=CN(C(=O....
4 5OO9 - URI C9 H12 N2 O6 C1=CN(C(=O....
5 5OO4 - URI C9 H12 N2 O6 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UUA; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 UUA 1 1
2 URI 0.561404 0.864407
3 0YQ 0.547945 0.8
4 CJB 0.533333 0.816667
5 N3E 0.492958 0.746269
6 DKX 0.484375 0.761905
7 U 0.477612 0.757576
8 U5P 0.477612 0.757576
9 UGB 0.47619 0.787879
10 UGA 0.47619 0.787879
11 U4S 0.470588 0.769231
12 U3P 0.462687 0.742424
13 UA3 0.462687 0.742424
14 U2S 0.457143 0.757576
15 U3S 0.457143 0.769231
16 44P 0.457143 0.73913
17 UDP 0.438356 0.772727
18 UDP UDP 0.438356 0.769231
19 6SY 0.430556 0.742424
20 HP7 0.430108 0.776119
21 U1S 0.425 0.73913
22 UNP 0.423077 0.75
23 UTP 0.421053 0.772727
24 U2P 0.42029 0.757576
25 DDU 0.419355 0.813559
26 U5F 0.415584 0.772727
27 2KH 0.415584 0.75
28 UPU 0.4125 0.746269
29 MJZ 0.410526 0.753623
30 LSU 0.4 0.60241
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OO5; Ligand: UUA; 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: 5oo5.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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