Receptor
PDB id Resolution Class Description Source Keywords
4FAJ 1.9 Å NON-ENZYME: OTHER STRUCTURE AND MODE OF PEPTIDE BINDING OF PHEROMONE RECEPTOR ENTEROCOCCUS FAECALIS SUBSTRATE BINDING PROTEIN PEPTIDE BINDING PROTEIN PHEROMONEXTRACELLULAR MEMBRANE ANCHORED
Ref.: STRUCTURE AND MODE OF PEPTIDE BINDING OF PHEROMONE PRGZ. J.BIOL.CHEM. V. 287 37165 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:601;
A:602;
A:607;
A:608;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LEU VAL THR LEU VAL PHE VAL B:1;
Valid;
none;
submit data
775.025 n/a O=C(N...
ZN A:603;
A:604;
A:605;
A:606;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FAJ 1.9 Å NON-ENZYME: OTHER STRUCTURE AND MODE OF PEPTIDE BINDING OF PHEROMONE RECEPTOR ENTEROCOCCUS FAECALIS SUBSTRATE BINDING PROTEIN PEPTIDE BINDING PROTEIN PHEROMONEXTRACELLULAR MEMBRANE ANCHORED
Ref.: STRUCTURE AND MODE OF PEPTIDE BINDING OF PHEROMONE PRGZ. J.BIOL.CHEM. V. 287 37165 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4FAJ - LEU VAL THR LEU VAL PHE VAL 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 4FAJ - LEU VAL THR LEU VAL PHE VAL 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 4FAJ - LEU VAL THR LEU VAL PHE VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LEU VAL THR LEU VAL PHE VAL; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU VAL THR LEU VAL PHE VAL 1 1
2 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.526786 0.829787
3 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.526316 0.8125
4 ALA PHE THR 0.517647 0.897436
5 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.508772 0.795918
6 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.487805 0.78
7 ALA PHE THR SER 0.483871 0.880952
8 SER LEU PHE ASN THR VAL ALA THR LEU 0.482759 0.847826
9 LYS VAL ILE THR PHE ILE ASP LEU 0.474576 0.78
10 SER LEU PHE ASN THR ILE ALA VAL LEU 0.471545 0.829787
11 SER GLY ILE PHE LEU GLU THR SER 0.468468 0.8125
12 LYS VAL LEU PHE LEU ASP GLY 0.464286 0.714286
13 PHE LEU SER THR LYS 0.462963 0.8125
14 ALA GLU THR PHE TYR VAL ASP GLY 0.45614 0.77551
15 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.454545 0.730769
16 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.45045 0.76087
17 GLU THR PHE TYR VAL ASP GLY 0.448276 0.716981
18 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.447619 0.886364
19 GLY SER TYR LEU VAL THR SER VAL 0.445455 0.78
20 CYS VAL PHE MET 0.441176 0.744681
21 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.44 0.716981
22 LYS LEU PHE SER PHE GLY GLY 0.435185 0.76
23 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.434783 0.829787
24 SER LEU TYR LEU THR VAL ALA THR LEU 0.426087 0.829787
25 ASP PHE M3L THR ASP 0.424779 0.672414
26 LEU SER SER PRO VAL THR LYS SER PHE 0.41791 0.65
27 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.416 0.716981
28 CYS THR PHE LYS THR LYS THR ASN 0.412281 0.711538
29 LEU SER PRO ASP SER PHE LEU ASN ASP 0.410526 0.880952
30 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.407407 0.696429
31 SER LEU TYR ASN VAL VAL ALA THR LEU 0.406504 0.795918
32 LYS ALA VAL PHE ASN PHE ALA THR MET 0.404959 0.76
33 FME TYR PHE ILE ASN ILE LEU THR LEU 0.40458 0.696429
34 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.40458 0.78
35 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.403226 0.716981
36 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.403101 0.644068
37 CYS VAL ASN GLY SER CYS PHE THR VAL 0.4 0.76
38 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.4 0.795918
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU VAL THR LEU VAL PHE VAL; 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 : 4FAJ; Ligand: LEU VAL THR LEU VAL PHE VAL; 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: 4faj.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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