Receptor
PDB id Resolution Class Description Source Keywords
1JLS 2.5 Å EC: 2.4.2.9 STRUCTURE OF THE URACIL PHOSPHORIBOSYLTRANSFERASE URACIL/CPR C128V TOXOPLASMA GONDII TRANSFERASE GLYCOSYLTRANSFERASE UPRTASE TERNARY COMPLEX CPRPP-URACIL
Ref.: THE STRUCTURAL MECHANISM OF GTP STABILIZED OLIGOMER AND CATALYTIC ACTIVATION OF THE TOXOPLASMA GONDII U PHOSPHORIBOSYLTRANSFERASE. PROC.NATL.ACAD.SCI.USA V. 99 78 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRP B:301;
Valid;
none;
submit data
390.07 C5 H13 O14 P3 C([C@...
MG B:3756;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:1599;
A:3199;
A:3599;
B:3699;
C:2599;
C:3299;
D:3399;
D:3499;
D:3799;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
URA A:400;
B:300;
C:600;
D:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UPF 2.3 Å EC: 2.4.2.9 STRUCTURE OF THE URACIL PHOSPHORIBOSYLTRANSFERASE, MUTANT C128V BOUND TO THE DRUG 5-FLUOROURACIL TOXOPLASMA GONDII TRANSFERASE GLYCOSYLTRANSFERASE PHOSPHORIBOSYLTRANSFERASE
Ref.: CRYSTAL STRUCTURES OF TOXOPLASMA GONDII URACIL PHOSPHORIBOSYLTRANSFERASE REVEAL THE ATOMIC BASIS OF PYRIMIDINE DISCRIMINATION AND PRODRUG BINDING. EMBO J. V. 17 3219 1998
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JLR Kd = 465 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1JLS - URA C4 H4 N2 O2 C1=CNC(=O)....
3 1UPU - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 1UPF Ki = 25 uM URF C4 H3 F N2 O2 C1=C(C(=O)....
5 1BD4 - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JLR Kd = 465 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1JLS - URA C4 H4 N2 O2 C1=CNC(=O)....
3 1UPU - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 1UPF Ki = 25 uM URF C4 H3 F N2 O2 C1=C(C(=O)....
5 1BD4 - URA C4 H4 N2 O2 C1=CNC(=O)....
50% 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 1JLR Kd = 465 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1JLS - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 BG6 0.5 0.880952
6 M6P 0.5 0.880952
7 AHG 0.5 0.904762
8 G6P 0.5 0.880952
9 HSX 0.5 0.975
10 BGP 0.5 0.880952
11 A6P 0.5 0.880952
12 RP5 0.5 0.975
13 M6D 0.5 0.880952
14 ABF 0.5 0.975
15 T6P 0.5 0.804348
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 4R1 0.410714 0.74
24 GLP 0.410714 0.74
Ligand no: 2; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UPF; Ligand: URF; 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: 1upf.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UPF; Ligand: URF; 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: 1upf.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UPF; Ligand: URF; 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: 1upf.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UPF; Ligand: URF; 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: 1upf.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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