Receptor
PDB id Resolution Class Description Source Keywords
3GBR 2.25 Å EC: 2.4.2.18 ANTHRANILATE PHOSPHORIBOSYL-TRANSFERASE (TRPD) DOUBLE MUTANT F149S FROM S. SOLFATARICUS SULFOLOBUS SOLFATARICUS TRANSFERASE AMINO-ACID BIOSYNTHESIS AROMATIC AMINO ACID BIOSYNTHESIS GLYCOSYLTRANSFERASE TRYPTOPHAN BIOSYNTHESIS
Ref.: ACTIVATION OF ANTHRANILATE PHOSPHORIBOSYLTRANSFERAS SULFOLOBUS SOLFATARICUS BY REMOVAL OF MAGNESIUM INH AND ACCELERATION OF PRODUCT RELEASE BIOCHEMISTRY V. 48 5199 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:348;
B:349;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:501;
A:502;
B:503;
B:504;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
PEG B:346;
B:347;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
PRP A:401;
B:402;
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
3GBR 2.25 Å EC: 2.4.2.18 ANTHRANILATE PHOSPHORIBOSYL-TRANSFERASE (TRPD) DOUBLE MUTANT F149S FROM S. SOLFATARICUS SULFOLOBUS SOLFATARICUS TRANSFERASE AMINO-ACID BIOSYNTHESIS AROMATIC AMINO ACID BIOSYNTHESIS GLYCOSYLTRANSFERASE TRYPTOPHAN BIOSYNTHESIS
Ref.: ACTIVATION OF ANTHRANILATE PHOSPHORIBOSYLTRANSFERAS SULFOLOBUS SOLFATARICUS BY REMOVAL OF MAGNESIUM INH AND ACCELERATION OF PRODUCT RELEASE BIOCHEMISTRY V. 48 5199 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GVQ - BE2 C7 H7 N O2 c1ccc(c(c1....
2 1ZYK - PRP C5 H13 O14 P3 C([C@@H]1[....
3 3GBR - PRP C5 H13 O14 P3 C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GVQ - BE2 C7 H7 N O2 c1ccc(c(c1....
2 1ZYK - PRP C5 H13 O14 P3 C([C@@H]1[....
3 3GBR - PRP C5 H13 O14 P3 C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GVQ - BE2 C7 H7 N O2 c1ccc(c(c1....
2 1ZYK - PRP C5 H13 O14 P3 C([C@@H]1[....
3 3GBR - PRP C5 H13 O14 P3 C([C@@H]1[....
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 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 : 3GBR; 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: 1) in the query (biounit: 3gbr.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GBR; 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: 3gbr.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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