Receptor
PDB id Resolution Class Description Source Keywords
3SFY 2.1 Å EC: 2.-.-.- CRYPTOCOCCUS NEOFORMANS PROTEIN FARNESYLTRANSFERASE IN COMPL FPT-II AND ETHYLENEDIAMINE INHIBITOR 2 CRYPTOCOCCUS NEOFORMANS PRENYLTRANSFERASE PROTEIN FARNESYLTRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURES OF CRYPTOCOCCUS NEOFORMANS PROTEIN FARNESYLTRANSFERASE REVEAL STRATEGIES FOR DEVELOPIN INHIBITORS THAT TARGET FUNGAL PATHOGENS. J.BIOL.CHEM. V. 286 35149 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3FX B:522;
B:523;
B:524;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
237.316 C9 H19 N O4 S C1CCC...
3FY B:525;
 Valid;
 none;
 submit data
557.506 C25 H29 Br N6 O2 S Cc1cc...
FII B:526;
 Valid;
 none;
 submit data
359.398 C17 H30 N O5 P CC(=C...
SO4 B:527;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
ZN B:521;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SFX 2 Å EC: 2.-.-.- CRYPTOCOCCUS NEOFORMANS PROTEIN FARNESYLTRANSFERASE IN COMPL FPT-II AND TIPIFARNIB CRYPTOCOCCUS NEOFORMANS PRENYLTRANSFERASE PROTEIN FARNESYLTRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURES OF CRYPTOCOCCUS NEOFORMANS PROTEIN FARNESYLTRANSFERASE REVEAL STRATEGIES FOR DEVELOPIN INHIBITORS THAT TARGET FUNGAL PATHOGENS. J.BIOL.CHEM. V. 286 35149 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 3SFY - 3FY C25 H29 Br N6 O2 S Cc1ccccc1C....
2 3Q7F - ED2 C25 H27 N7 O2 S Cn1cc(nc1)....
3 3Q7A - 778 C22 H20 Cl N5 O c1cc(cc(c1....
4 3Q75 - FII C17 H30 N O5 P CC(=CCC/C(....
5 3SFX - FII C17 H30 N O5 P CC(=CCC/C(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 3SFY - 3FY C25 H29 Br N6 O2 S Cc1ccccc1C....
2 3Q7F - ED2 C25 H27 N7 O2 S Cn1cc(nc1)....
3 3Q7A - 778 C22 H20 Cl N5 O c1cc(cc(c1....
4 3Q75 - FII C17 H30 N O5 P CC(=CCC/C(....
5 3SFX - FII C17 H30 N O5 P CC(=CCC/C(....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 3SFY - 3FY C25 H29 Br N6 O2 S Cc1ccccc1C....
2 3Q7F - ED2 C25 H27 N7 O2 S Cn1cc(nc1)....
3 3Q7A - 778 C22 H20 Cl N5 O c1cc(cc(c1....
4 3Q75 - FII C17 H30 N O5 P CC(=CCC/C(....
5 3SFX - FII C17 H30 N O5 P CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3FY; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 3FY 1 1
2 ED2 0.57732 0.918919
3 ED7 0.462264 0.878378
4 ED4 0.440678 0.781609
Ligand no: 2; Ligand: FII; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FII 1 1
2 DSL 0.553571 0.603448
3 0K3 0.553571 0.603448
4 FJP 0.553571 0.614035
5 GRG 0.507937 0.666667
6 FPP 0.507937 0.666667
7 VTP 0.507937 0.655172
8 OTP 0.507937 0.655172
9 ZTP 0.507937 0.655172
10 FPQ 0.5 0.683333
11 GPP 0.444444 0.649123
12 C0X 0.444444 0.622951
13 FPS 0.41791 0.6
14 GGS 0.41791 0.6
15 FFF 0.402778 0.633333
Similar Ligands (3D)
Ligand no: 1; Ligand: 3FY; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: FII; 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 : 3SFX; Ligand: FII; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 3sfx.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1MZC BNE 48.5126
2 1MZC FPP 48.5126
3 1KZO FPP 48.8064
Pocket No.: 2; Query (leader) PDB : 3SFX; Ligand: JAN; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 3sfx.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1MZC BNE 48.5126
2 1MZC FPP 48.5126
3 1KZO FPP 48.8064
APoc FAQ
Feedback