Receptor
PDB id Resolution Class Description Source Keywords
5ubi 2.14 Å EC: 2.4.2.17 CATALYTIC CORE DOMAIN OF ADENOSINE TRIPHOSPHATE PHOSPHORIBOSYLTRANSFERASE FROM CAMPYLOBACTER JEJUNI WITH BO CAMPYLOBACTER JEJUNI (STRAIN RM1221) HISTIDINE-BIOSYNTHESIS HISG PRPP TRANSFERASE
Ref.: A DIMERIC CATALYTIC CORE RELATES THE SHORT AND LONG ATP-PHOSPHORIBOSYLTRANSFERASE. BIOCHEM. J. V. 475 247 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:302;
A:303;
B:303;
A:301;
A:302;
B:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
EDO B:307;
A:308;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
PRP MG B:305;
 Invalid;
 none;
 submit data
n/a n/a
MG A:307;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
ACT A:304;
A:305;
B:304;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
PRP A:306;
 Valid;
 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
5UBG 1.9 Å EC: 2.4.2.17 CATALYTIC CORE DOMAIN OF ADENOSINE TRIPHOSPHATE PHOSPHORIBOSYLTRANSFERASE FROM CAMPYLOBACTER JEJUNI WITH BOP HOSPHORIBOSYL-ATP CAMPYLOBACTER JEJUNI (STRAIN RM1221) HISTIDINE-BIOSYNTHESIS HISG PR-ATP TRANSFERASE
Ref.: A DIMERIC CATALYTIC CORE RELATES THE SHORT AND LONG ATP-PHOSPHORIBOSYLTRANSFERASE. BIOCHEM. J. V. 475 247 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5UBI - PRP C5 H13 O14 P3 C([C@@H]1[....
2 5UBG - PRT C15 H25 N5 O20 P4 [H]/N=C1/c....
3 5UBH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5UBI - PRP C5 H13 O14 P3 C([C@@H]1[....
2 5UBG - PRT C15 H25 N5 O20 P4 [H]/N=C1/c....
3 5UBH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5UBI - PRP C5 H13 O14 P3 C([C@@H]1[....
2 5UBG - PRT C15 H25 N5 O20 P4 [H]/N=C1/c....
3 5UBH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRP; Similar ligands found: 21
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 A6P 0.5 0.880952
6 M6D 0.5 0.880952
7 BG6 0.5 0.880952
8 BGP 0.5 0.880952
9 HSX 0.5 0.975
10 M6P 0.5 0.880952
11 G6P 0.5 0.880952
12 AHG 0.5 0.904762
13 RP5 0.5 0.975
14 ABF 0.5 0.975
15 GRF 0.45098 0.745098
16 FDQ 0.425926 0.883721
17 RF5 0.415094 0.863636
18 50A 0.415094 0.863636
19 R1P 0.411765 0.951219
20 GLP 0.410714 0.74
21 4R1 0.410714 0.74
Similar Ligands (3D)
Ligand no: 1; Ligand: PRP; Similar ligands found: 8
No: Ligand Similarity coefficient
1 PCP 0.9849
2 1RB 0.8784
3 7RP 0.8765
4 7RA 0.8712
5 AAM 0.8705
6 P2P 0.8678
7 RMB 0.8657
8 RBZ 0.8635
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UBG; Ligand: PRT; 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: 5ubg.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5UBG; Ligand: PRT; 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: 5ubg.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback