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: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 PPC 0.615385 0.930233
3 G16 0.588235 0.883721
4 M6P 0.5 0.880952
5 HSX 0.5 0.975
6 M6D 0.5 0.880952
7 T6P 0.5 0.804348
8 BGP 0.5 0.880952
9 G6P 0.5 0.880952
10 AHG 0.5 0.904762
11 RP5 0.5 0.975
12 ABF 0.5 0.975
13 A6P 0.5 0.880952
14 BG6 0.5 0.880952
15 GRF 0.45098 0.745098
16 P3M 0.426471 0.804348
17 FDQ 0.425926 0.883721
18 RF5 0.415094 0.863636
19 50A 0.415094 0.863636
20 R1P 0.411765 0.951219
21 GLP 0.410714 0.74
22 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: 23
This union binding pocket(no: 1) in the query (biounit: 3gbr.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GND MAN 0.03854 0.40473 2.31884
2 3W9F I3P 0.04748 0.41586 2.69231
3 2XT3 ADP 0.04803 0.4065 2.90698
4 3DCJ THH 0.0225 0.40788 3.25581
5 2G50 ALA 0.03964 0.40729 3.47826
6 1XPJ TLA 0.02222 0.40578 3.96825
7 2JFQ DGL 0.03622 0.40091 4.1958
8 5O4F 8VE 0.04417 0.4 4.65116
9 3B6O TMP 0.04669 0.40248 4.8583
10 4EZD SEY 0.02993 0.40166 4.94792
11 2G77 AF3 0.0284 0.41532 5.55556
12 2UYQ SAM 0.04312 0.40297 6.12903
13 3ITA AIC 0.02482 0.41348 6.66667
14 3CR3 ADP 0.01338 0.40541 6.77083
15 2YKX AKG 0.01263 0.4355 7.53623
16 4EFH ADP 0.01746 0.40317 7.57576
17 3BBD SAH 0.0108 0.41294 8.78049
18 1KYZ SAH 0.01963 0.40078 10.1449
19 4GDX GLU 0.04581 0.40083 10.7692
20 5IKI A9H 0.03315 0.40661 12.1739
21 3QMN A3P 0.03238 0.41279 13.1783
22 1SQL GUN 0.0266 0.41546 14.3836
23 3U9Z ADP 0.01426 0.40729 17.2414
Pocket No.: 2; Query (leader) PDB : 3GBR; Ligand: PRP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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