Receptor
PDB id Resolution Class Description Source Keywords
1T2W 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SORTASE A IN COMPLEX WITH A LPETG PEPTIDE STAPHYLOCOCCUS AUREUS SORTASE TRANSPEPTIDASE BETA BARREL HYDROLASE
Ref.: CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS SORTASE A AND ITS SUBSTRATE COMPLEX J.BIOL.CHEM. V. 279 31383 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU PRO GLU THR GLY A:331;
Valid;
none;
submit data
514.556 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T2W 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SORTASE A IN COMPLEX WITH A LPETG PEPTIDE STAPHYLOCOCCUS AUREUS SORTASE TRANSPEPTIDASE BETA BARREL HYDROLASE
Ref.: CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS SORTASE A AND ITS SUBSTRATE COMPLEX J.BIOL.CHEM. V. 279 31383 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1T2W - LEU PRO GLU THR GLY 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 176 families.
1 1T2W - LEU PRO GLU THR GLY 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 143 families.
1 1T2W - LEU PRO GLU THR GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LEU PRO GLU THR GLY; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU PRO GLU THR GLY 1 1
2 SER GLU CYS THR THR PRO CYS 0.527778 0.915254
3 LEU PRO LYS MYK THR GLY GLY 0.524194 0.916667
4 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.504673 0.932203
5 LEU PRO PHE GLU LYS SER THR VAL MET 0.485294 0.861538
6 SER SER GLY LYS VAL PRO LEU 0.473214 0.948276
7 LEU PRO PHE GLU ARG ALA THR VAL MET 0.465278 0.8
8 DPN PRO DAR DTH NH2 0.460177 0.769231
9 LEU PRO PHE GLU ARG ALA THR ILE MET 0.455782 0.788732
10 LYS PRO VAL LEU ARG THR ALA 0.455285 0.859375
11 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.453125 0.859375
12 SER SER GLY LYS VAL PRO LEU SER 0.452991 0.932203
13 SER MET PRO GLU LEU SER PRO VAL LEU 0.452381 0.859375
14 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.449612 0.776119
15 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.448 0.932203
16 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.446154 0.833333
17 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.445378 0.819672
18 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.443662 0.785714
19 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.443609 0.888889
20 GLU ARG THR ILE PRO ILE THR ARG GLU 0.443548 0.833333
21 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.442308 0.910714
22 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.440298 0.888889
23 LEU PRO GLY GLU GLU ASP LEU PRO GLY 0.436975 0.881356
24 LEU PRO PHE ASP LYS THR THR ILE MET 0.435714 0.846154
25 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.435484 0.901639
26 LYS PRO SEP GLN GLU LEU 0.434783 0.776119
27 LEU PRO 0.433735 0.75
28 LEU PRO PHE ASP ARG THR THR ILE MET 0.430556 0.777778
29 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.429688 0.833333
30 ALA MET ALA PRO ARG THR LEU LEU LEU 0.429688 0.797101
31 ALA THR PRO PHE GLN GLU 0.428571 0.862069
32 ARG ARG ARG GLU ARG SER PRO THR ARG 0.428571 0.80303
33 THR PRO GLN ASP LEU ASN THR MET LEU 0.427481 0.859375
34 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.424 0.883333
35 PHE ASN PHE PRO GLN ILE THR 0.421875 0.84375
36 GLU LEU PRO LEU VAL LYS ILE 0.421488 0.862069
37 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.42029 0.8125
38 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.419847 0.80303
39 SER PRO LYS ARG ILE ALA 0.418033 0.787879
40 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.41791 0.728571
41 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.417323 0.883333
42 LYS PRO LYS 0.416667 0.754386
43 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.416667 0.823529
44 ALA PRO THR 0.41573 0.842105
45 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.414966 0.846154
46 ALA PRO ASP THR ARG PRO 0.413223 0.80597
47 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.412587 0.794118
48 DPN PRO DAR ILE NH2 0.410256 0.712121
49 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.410072 0.84375
50 ARG VAL SER PRO SER THR SER TYR THR PRO 0.409836 0.84127
51 SER TYR SER PRO THR SEP PRO SER 0.40708 0.761194
52 GLY PRO THR ILE GLU GLU VAL ASP 0.40678 0.964912
53 SER ALA PRO ASP THR ARG PRO ALA 0.40625 0.794118
54 SER THR CYS PRO ALA ALA 0.40566 0.881356
55 LEU PRO PHE ASP LYS SER THR ILE MET 0.405405 0.848485
56 ASN LEU VAL PRO MET VAL ALA THR VAL 0.40458 0.873016
57 TYR PRO TYR 0.401961 0.730159
58 PTR VAL PRO MET LEU 0.401575 0.684932
59 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.40146 0.885246
60 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.401408 0.791045
61 VAL PRO LEU ARG PRO MET THR TYR 0.401408 0.743243
62 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.4 0.848485
63 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.4 0.64557
64 GLU LYS PRO SER SER SER 0.4 0.864407
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback