Receptor
PDB id Resolution Class Description Source Keywords
6TE4 2.29 Å NON-ENZYME: OTHER STRUCTURAL INSIGHTS INTO PSEUDOMONAS AERUGINOSA TYPE SIX SEC SYSTEM EXPORTED EFFECTOR 8: TSE8 IN COMPLEX WITH A PEPTIDE PSEUDOMONAS AERUGINOSA PAO1 AMIDASE SIGNATURE (AS) SUPERFAMILY COMPLEX TOXIN
Ref.: STRUCTURAL INSIGHTS INTO PSEUDOMONAS AERUGINOSATYPE SECRETION SYSTEM EXPORTED EFFECTOR 8. J.STRUCT.BIOL. V. 212 07651 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO LEU ALA SER LYS C:564;
 Valid;
 none;
 Kd = 24 uM
612.749 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TE4 2.29 Å NON-ENZYME: OTHER STRUCTURAL INSIGHTS INTO PSEUDOMONAS AERUGINOSA TYPE SIX SEC SYSTEM EXPORTED EFFECTOR 8: TSE8 IN COMPLEX WITH A PEPTIDE PSEUDOMONAS AERUGINOSA PAO1 AMIDASE SIGNATURE (AS) SUPERFAMILY COMPLEX TOXIN
Ref.: STRUCTURAL INSIGHTS INTO PSEUDOMONAS AERUGINOSATYPE SECRETION SYSTEM EXPORTED EFFECTOR 8. J.STRUCT.BIOL. V. 212 07651 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6TE4 Kd = 24 uM PRO PRO LEU ALA SER LYS n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6TE4 Kd = 24 uM PRO PRO LEU ALA SER LYS n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6TE4 Kd = 24 uM PRO PRO LEU ALA SER LYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO PRO LEU ALA SER LYS; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO LEU ALA SER LYS 1 1
2 PRO LEU SER LYS 0.628866 0.87931
3 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.540323 0.864407
4 PRO PRO LYS ARG ILE ALA 0.527559 0.8
5 PRO PRO LYS LYS LYS ARG LYS VAL 0.512397 0.78125
6 SER SER CYS SER SER CYS PRO LEU SER LYS 0.496403 0.878788
7 ACE ASP PRO PRO LEU HIS SER TPO ALA NH2 0.49635 0.802817
8 SER SER GLY LYS VAL PRO LEU SER 0.468254 0.95
9 THR THR ALA PRO SER LEU SER GLY LYS 0.462687 0.919355
10 LEU PRO PRO GLU GLU ARG LEU ILE 0.462121 0.80303
11 GLU LYS PRO SER SER SER 0.440678 0.883333
12 SER SER CYS PRO LEU SER LYS 0.44 0.933333
13 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.439655 0.833333
14 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.439394 0.887097
15 PRO PRO HIS SER TPO 0.439394 0.774648
16 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.439252 0.758621
17 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.428571 0.868852
18 PRO PRO PRO MET ALA GLY GLY 0.421875 0.8
19 SER SER GLY LYS VAL PRO LEU 0.421875 0.966102
20 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.421429 0.934426
21 PRO THR PRO SER ALA PRO VAL PRO LEU 0.419355 0.95082
22 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.418182 0.847458
23 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.417266 0.80303
24 SER PRO LYS ARG ILE ALA 0.407692 0.830769
25 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.406015 0.901639
26 LYS LEU THR PRO LEU CYS VAL THR LEU 0.404412 0.918033
27 PRO ALA PRO PHE ALA SER ALA 0.402985 0.901639
28 SER LEU ILE PRO TPO PRO ASP LYS 0.402778 0.84058
29 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.402778 0.791045
30 LYS PRO LYS 0.401869 0.810345
31 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.40146 0.966667
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO PRO LEU ALA SER LYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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