Receptor
PDB id Resolution Class Description Source Keywords
3Q7F 2.2 Å EC: 2.-.-.- CRYPTOCOCCUS NEOFORMANS PROTEIN FARNESYLTRANSFERASE IN COMPL FPP AND ETHYLENEDIAMINE INHIBITOR 1 CRYPTOCOCCUS NEOFORMANS PROTEIN PRENYLTRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR
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:522;
B:523;
B:524;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
237.316 C9 H19 N O4 S C1CCC...
ED2 B:1003;
 Valid;
 none;
 submit data
489.593 C25 H27 N7 O2 S Cn1cc...
FPP B:525;
 Valid;
 none;
 submit data
382.326 C15 H28 O7 P2 CC(=C...
SO4 B:526;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
ZN B:521;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
GLC FRU C:1;
D:1;
E:1;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
340.281 n/a O=CC1...
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: ED2; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ED2 1 1
2 ED7 0.711111 0.957143
3 3FY 0.57732 0.918919
4 ED4 0.564815 0.843373
5 ED5 0.445378 0.807229
Ligand no: 2; Ligand: FPP; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 VTP 1 0.975
2 GRG 1 1
3 OTP 1 0.975
4 FPP 1 1
5 ZTP 1 0.975
6 GPP 0.911111 0.974359
7 DSL 0.744681 0.9
8 0K3 0.744681 0.9
9 FJP 0.744681 0.923077
10 FDF 0.727273 0.904762
11 FFF 0.714286 0.928571
12 HZZ 0.680851 0.897436
13 FGG 0.590164 0.928571
14 FPF 0.57377 0.928571
15 2CF 0.57377 0.928571
16 ELU 0.571429 0.951219
17 ELR 0.571429 0.951219
18 10E 0.568627 0.702128
19 10D 0.568627 0.785714
20 MGM 0.5625 0.764706
21 DMA 0.5625 0.846154
22 A4S 0.558824 0.698113
23 3E9 0.555556 0.951219
24 FPS 0.551724 0.880952
25 GGS 0.551724 0.880952
26 H6P 0.54902 0.785714
27 FPQ 0.539683 0.826087
28 10G 0.538462 0.767442
29 FII 0.507937 0.666667
30 GST 0.482759 0.857143
31 PS7 0.48 0.906977
32 C0X 0.477612 0.744681
33 FHP 0.473684 0.761905
34 1NH 0.457831 0.770833
35 0FV 0.442623 0.904762
36 LA6 0.442623 0.904762
37 SZH 0.428571 0.655172
38 749 0.428571 0.897436
39 9GB 0.415094 0.825
Similar Ligands (3D)
Ligand no: 1; Ligand: ED2; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: FPP; 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