Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:302;
B:304;
A:303;
A:301;
B:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
CL B:305;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
PRT B:303;
A:302;
 Valid;
Valid;
 none;
none;
 submit data
719.276 C15 H25 N5 O20 P4 [H]/N...
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: PRT; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 PRT 1 1
2 IDP 0.5 0.986111
3 GTP 0.490741 0.959459
4 IMP 0.466019 0.972222
5 ITT 0.457143 0.90411
6 ATP 0.45283 0.931507
7 HEJ 0.45283 0.931507
8 GDP 0.449541 0.959459
9 CZF 0.449541 0.945205
10 5FA 0.448598 0.931507
11 AQP 0.448598 0.931507
12 R5I 0.441441 0.958904
13 R7I 0.441441 0.958904
14 GP3 0.440367 0.934211
15 CXR 0.433628 0.929577
16 UP5 0.428571 0.858974
17 HFD 0.427273 0.883117
18 JSQ 0.427273 0.883117
19 HF4 0.424528 0.842105
20 CTP 0.424528 0.842105
21 7DT 0.422018 0.917808
22 RGT 0.421488 0.894737
23 QBQ 0.419643 0.945946
24 UTP 0.419048 0.813333
25 GSP 0.417391 0.910256
26 G 0.416667 0.945946
27 5GP 0.416667 0.945946
28 U5F 0.415094 0.813333
29 AIR 0.412371 0.888889
30 ADP 0.411215 0.931507
31 AP5 0.411215 0.905405
32 B4P 0.411215 0.905405
33 GCP 0.408696 0.934211
34 1RB 0.407767 0.847222
35 BUP 0.407407 0.7625
36 25L 0.404959 0.918919
37 BA3 0.401869 0.905405
Similar Ligands (3D)
Ligand no: 1; Ligand: PRT; Similar ligands found: 0
No: Ligand Similarity coefficient
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
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