Receptor
PDB id Resolution Class Description Source Keywords
5EP3 1.8 Å NON-ENZYME: TRANSCRIPT_TRANSLATE QUORUM-SENSING SIGNAL INTEGRATOR LUXO - CATALYTIC DOMAIN BOU 133 INHIBITOR PHOTOBACTERIUM ANGUSTUM QUORUM SENSING AAA+ PROTEIN CATALYTIC DOMAIN ATPASE INHITRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLEX
Ref.: STRUCTURE, REGULATION, AND INHIBITION OF THE QUORUM SIGNAL INTEGRATOR LUXO. PLOS BIOL. V. 14 02464 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:404;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
EPE A:403;
 Invalid;
 none;
 submit data
238.305 C8 H18 N2 O4 S C1CN(...
5QT A:401;
 Valid;
 none;
 submit data
272.324 C10 H16 N4 O3 S CC(C)...
SO4 A:402;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EP2 1.42 Å NON-ENZYME: TRANSCRIPT_TRANSLATE QUORUM-SENSING SIGNAL INTEGRATOR LUXO - CATALYTIC DOMAIN IN WITH AZAU INHIBITOR PHOTOBACTERIUM ANGUSTUM QUORUM SENSING AAA+ PROTEIN CATALYTIC DOMAIN ATPASE INHITRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLEX
Ref.: STRUCTURE, REGULATION, AND INHIBITION OF THE QUORUM SIGNAL INTEGRATOR LUXO. PLOS BIOL. V. 14 02464 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5EP2 - AZU C10 H15 N3 O4 S CC(C)(C)CO....
2 5EP3 - 5QT C10 H16 N4 O3 S CC(C)(C)CO....
3 5EP4 - 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 266 families.
1 5EP2 - AZU C10 H15 N3 O4 S CC(C)(C)CO....
2 5EP3 - 5QT C10 H16 N4 O3 S CC(C)(C)CO....
3 5EP4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 4QNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2C9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2C99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 2C96 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4QOS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2C98 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 6JDI - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
8 6J7E - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
9 5EXT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 5EXS - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
11 6JDL - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
12 5EP2 - AZU C10 H15 N3 O4 S CC(C)(C)CO....
13 5EP3 - 5QT C10 H16 N4 O3 S CC(C)(C)CO....
14 5EP4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5QT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5QT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5QT; Similar ligands found: 45
No: Ligand Similarity coefficient
1 AZU 0.9635
2 IJ4 0.9275
3 2DT 0.9125
4 0V7 0.9125
5 IAG 0.9081
6 UMP 0.9046
7 JKK 0.9001
8 DCM 0.8991
9 DOC 0.8966
10 DU 0.8965
11 IJ1 0.8964
12 0V8 0.8963
13 U 0.8963
14 IPL 0.8952
15 7HV 0.8951
16 DC 0.8939
17 UMC 0.8874
18 U5P 0.8869
19 IGP 0.8855
20 LLG 0.8854
21 D8I 0.8853
22 UFP 0.8844
23 41L 0.8827
24 CH 0.8821
25 C 0.8820
26 C5P 0.8817
27 TMP 0.8817
28 NYM 0.8814
29 BRU 0.8795
30 1UA 0.8784
31 FIP 0.8767
32 DUS 0.8756
33 P1J 0.8743
34 0H9 0.8730
35 RNP 0.8721
36 DDN 0.8685
37 N18 0.8684
38 SNP 0.8683
39 4K2 0.8656
40 PW5 0.8648
41 SAZ 0.8618
42 D2S 0.8609
43 CMZ 0.8592
44 JOT 0.8584
45 5RW 0.8540
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EP2; Ligand: AZU; 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: 5ep2.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback