Receptor
PDB id Resolution Class Description Source Keywords
2PS1 1.75 Å EC: 2.4.2.10 S. CEREVISIAE OROTATE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WI ACID AND PRPP SACCHAROMYCES CEREVISIAE ALPHA BETA OPRTASE-OA-PRPP COMPLEX TRANSFERASE
Ref.: TERNARY COMPLEX FORMATION AND INDUCED ASYMMETRY IN PHOSPHORIBOSYLTRANSFERASE. BIOCHEMISTRY V. 46 14075 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
B:402;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ORO A:500;
B:600;
Valid;
Valid;
none;
none;
submit data
156.096 C5 H4 N2 O4 C1=C(...
PRP A:700;
B:800;
Valid;
Valid;
none;
none;
submit data
390.07 C5 H13 O14 P3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PS1 1.75 Å EC: 2.4.2.10 S. CEREVISIAE OROTATE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WI ACID AND PRPP SACCHAROMYCES CEREVISIAE ALPHA BETA OPRTASE-OA-PRPP COMPLEX TRANSFERASE
Ref.: TERNARY COMPLEX FORMATION AND INDUCED ASYMMETRY IN PHOSPHORIBOSYLTRANSFERASE. BIOCHEMISTRY V. 46 14075 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PRZ - OMP C10 H13 N2 O11 P C1=C(N(C(=....
2 2PS1 - ORO C5 H4 N2 O4 C1=C(NC(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PRZ - OMP C10 H13 N2 O11 P C1=C(N(C(=....
2 2PS1 - ORO C5 H4 N2 O4 C1=C(NC(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LH0 - ORO C5 H4 N2 O4 C1=C(NC(=O....
2 1OPR - ORO C5 H4 N2 O4 C1=C(NC(=O....
3 2PRZ - OMP C10 H13 N2 O11 P C1=C(N(C(=....
4 2PS1 - ORO C5 H4 N2 O4 C1=C(NC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ORO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ORO 1 1
Ligand no: 2; Ligand: PRP; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 RI2 0.695652 0.975
3 PPC 0.615385 0.930233
4 G16 0.588235 0.883721
5 M6D 0.5 0.880952
6 AHG 0.5 0.904762
7 A6P 0.5 0.880952
8 RP5 0.5 0.975
9 T6P 0.5 0.804348
10 G6P 0.5 0.880952
11 HSX 0.5 0.975
12 M6P 0.5 0.880952
13 ABF 0.5 0.975
14 BGP 0.5 0.880952
15 BG6 0.5 0.880952
16 XYT 0.453125 0.804348
17 GRF 0.45098 0.745098
18 P3M 0.426471 0.804348
19 FDQ 0.425926 0.883721
20 50A 0.415094 0.863636
21 RF5 0.415094 0.863636
22 R1P 0.411765 0.951219
23 GLP 0.410714 0.74
24 4R1 0.410714 0.74
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PS1; Ligand: PRP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2ps1.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4P83 U5P 25.2747
Pocket No.: 2; Query (leader) PDB : 2PS1; Ligand: PRP; 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: 2ps1.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2PS1; Ligand: ORO; 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: 2ps1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2PS1; Ligand: ORO; 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: 2ps1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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