Receptor
PDB id Resolution Class Description Source Keywords
1P18 2 Å EC: 2.4.2.8 HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI, K68R MUTANT, TERNARY SUBSTRATES COMPLEX TRYPANOSOMA CRUZI TRANSFERASE GLYCOSYLTRANSFERASE PHOSPHORIBOSYLTRANSFERASENUCLEOTIDE METABOLISM PURINE SALVAGE TERNARY COMPLEX
Ref.: INTERACTIONS AT THE DIMER INTERFACE INFLUENCE THE RELATIVE EFFICIENCIES FOR PURINE NUCLEOTIDE SYNTHESIS AND PYROPHOSPHOROLYSIS IN A PHOSPHORIBOSYLTRANSFERASE J.MOL.BIOL. V. 335 905 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7HP A:800;
B:810;
Valid;
Valid;
none;
none;
submit data
136.111 C5 H4 N4 O c1c2c...
MG A:900;
A:902;
B:910;
B:912;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PRP A:801;
B:811;
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
1P19 2.3 Å EC: 2.4.2.8 HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI, IN COMPLEX WITH THE PRODUCT IMP TRYPANOSOMA CRUZI TRANSFERASE GLYCOSYLTRANSFERASE PHOSPHORIBOSYLTRANSFERASENUCLEOTIDE METABOLISM PURINE SALVAGE PRODUCT COMPLEX
Ref.: INTERACTIONS AT THE DIMER INTERFACE INFLUENCE THE RELATIVE EFFICIENCIES FOR PURINE NUCLEOTIDE SYNTHESIS AND PYROPHOSPHOROLYSIS IN A PHOSPHORIBOSYLTRANSFERASE. J.MOL.BIOL. V. 335 905 2004
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
2 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
3 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
4 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
5 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
6 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
7 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
8 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
2 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
3 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
4 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
5 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
6 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
7 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
8 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1PZM - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 5KAM Ki = 77.3 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 6APS Ki = 0.22 uM SV2 C11 H19 N5 O9 P2 c1nc2c(n1C....
4 6APU Ki = 13.46 uM 3L6 C12 H22 N7 O4 P c1nc2c(n1C....
5 5JSQ Ki = 21.3 uM 6MS C11 H18 N5 O4 P c1nc2c(n1C....
6 6APV Ki = 0.11 uM 3L4 C12 H20 N6 O8 P2 c1nc2c(n1C....
7 6APT Ki = 0.89 uM 45T C12 H21 N5 O9 P2 c1nc2c(n1C....
8 4RHY Ki = 1.13 uM 3QG C15 H29 N6 O10 P3 c1nc2c(n1C....
9 4RHX Ki = 1.6 uM 3QF C15 H27 N7 O8 P2 c1nc2c(n1C....
10 1HGX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
12 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
13 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
14 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
15 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
16 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
17 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
18 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
19 3ACD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
20 3ACC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1YFZ Ki = 45 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7HP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7HP 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 : 1P19; Ligand: IMP; 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: 1p19.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1P19; Ligand: IMP; 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: 1p19.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1P19; Ligand: IMP; 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: 1p19.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1P19; Ligand: IMP; 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: 1p19.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1P19; Ligand: IMP; 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: 1p19.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1P19; Ligand: IMP; 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: 1p19.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1P19; Ligand: IMP; 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: 1p19.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1p19.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback