Receptor
PDB id Resolution Class Description Source Keywords
3Q75 2.14 Å EC: 2.-.-.- CRYPTOCOCCUS NEOFORMANS PROTEIN FARNESYLTRANSFERASE IN COMPL FPT-II AND TKCVVM PEPTIDE CRYPTOCOCCUS NEOFORMANS PROTEIN PRENYLTRANSFERASE TRANSFERASE
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
3CX B:523;
B:524;
 Invalid;
Invalid;
 none;
none;
 submit data
237.316 C9 H19 N O4 S C1CCC...
FII B:522;
 Valid;
 none;
 submit data
359.398 C17 H30 N O5 P CC(=C...
THR LYS CYS VAL VAL MET G:6;
 Valid;
 none;
 submit data
680.913 n/a S(CCC...
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: THR LYS CYS VAL VAL MET; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 THR LYS CYS VAL VAL MET 1 1
2 THR LYS CYS VAL PHE MET 0.75 0.942308
3 LYS CYS VAL VAL MET 0.7 0.897959
4 SER LEU LYS LEU MET THR THR VAL 0.49 0.98
5 GLY SER LYS MET GLU GLU VAL ASP 0.485437 0.90566
6 LYS VAL LYS 0.463415 0.76
7 LYS MET LYS 0.458824 0.82
8 MET CYS LEU ARG MET THR ALA VAL MET 0.453782 0.857143
9 MET CYS LEU ARG NLE THR ALA VAL MET 0.442623 0.842105
10 CYS VAL PHE MET 0.434343 0.769231
11 THR PHE LYS LYS THR ASN 0.424528 0.781818
12 GLY CYS SER VAL SER LYS LYS LYS MYR 0.421053 0.836364
13 ILE LEU ASN ALA MET ILE VAL LYS ILE 0.418803 0.865385
14 LYS THR LYS 0.418605 0.82
15 THR LYS THR ALA THR ILE ASN ALA SER 0.414414 0.830189
16 ALA MET TYR LYS 0.411765 0.8
17 VAL GLN GLN GLU SER SER PHE VAL MET 0.408696 0.851852
18 LEU LYS THR LYS LEU LEU 0.408163 0.88
19 LEU PRO PHE GLU LYS SER THR VAL MET 0.407143 0.742424
20 MET ABA LEU ARG MET THR ALA VAL MET 0.404959 0.824561
21 LYS CYS LYS 0.404762 0.74
22 LYS THR LYS LEU LEU 0.402062 0.88
Similar Ligands (3D)
Ligand no: 1; Ligand: FII; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: THR LYS CYS VAL VAL MET; 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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