Receptor
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
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...
FII B:525;
Valid;
none;
submit data
359.398 C17 H30 N O5 P CC(=C...
JAN B:526;
Valid;
none;
submit data
489.396 C27 H22 Cl2 N4 O Cn1cn...
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: 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
Ligand no: 2; Ligand: JAN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JAN 1 1
2 JKF 0.449541 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: FII; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: JAN; 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
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