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
513.548 n/a O=C(N...
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 312 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 261 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 214 families.
1 1T2W - LEU PRO GLU THR GLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LEU PRO GLU THR GLY; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU PRO GLU THR GLY 1 1
2 SER GLU CYS THR THR PRO CYS 0.482143 0.916667
3 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.474576 0.949153
4 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.45082 0.965517
5 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.436975 0.822581
6 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.436508 0.949153
7 LEU PRO SER PHE GLU THR ALA LEU 0.435115 0.934426
8 LEU PRO 0.433735 0.807018
9 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.432692 0.912281
10 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.427419 0.901639
11 ACE PRO VAL GLN GLU THR NH2 0.427273 0.932203
12 LYS PRO SEP GLN GLU LEU 0.426087 0.791045
13 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.423611 0.8
14 ALA THR PRO PHE GLN GLU 0.422764 0.898305
15 ACE GLU VAL ASN ALA PRO VAL LPD 0.422414 0.83871
16 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.420635 0.901639
17 SER SER GLY LYS VAL PRO LEU 0.420168 0.949153
18 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.419847 0.848485
19 ARG ARG ARG GLU ARG SER PRO THR ARG 0.418605 0.818182
20 ALA PRO THR 0.41573 0.844828
21 THR PRO GLN ASP LEU ASN THR MET LEU 0.415385 0.875
22 SER MET PRO GLU LEU SER PRO VAL LEU 0.414634 0.861538
23 ACE GLU VAL ALA PRO PRO VAL LPD 0.410256 0.819672
24 SER SER GLY LYS VAL PRO LEU SER 0.409836 0.933333
25 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.408759 0.814286
26 31U 0.405941 0.71875
27 ACE GLU VAL ASN PRO 0.40566 0.881356
28 LEU PRO LYS MYK THR GLY GLY 0.404412 0.918033
29 GLY PRO THR ILE GLU GLU VAL ASP 0.403361 0.982759
30 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.401515 0.818182
31 GLU PRO VAL GLU THR THR ASP TYR 0.4 0.873016
32 ACE GLN GLU ARG GLU VAL PRO CYS 0.4 0.772727
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU PRO GLU THR GLY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback