Receptor
PDB id Resolution Class Description Source Keywords
4LNG 1.91 Å EC: 2.5.1.- ASPERGILLUS FUMIGATUS PROTEIN FARNESYLTRANSFERASE COMPLEX WI FARNESYLDIPHOSPHATE AND TIPIFARNIB ASPERGILLUS FUMIGATUS FARNESYLTRANSFERASE PRENYLATION ISOPRENOID AND CAAX-CONTAIPROTEIN AND PEPTIDE SUBSTRATES FARNESYLATION TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE FUNGAL PATHOGEN ASPERGILL FUMIGATUS PROTEIN FARNESYLTRANSFERASE COMPLEXED WIT SUBSTRATES AND INHIBITORS REVEAL FEATURES FOR ANTIF DRUG DESIGN. PROTEIN SCI. V. 23 289 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:402;
A:401;
B:606;
B:604;
B:605;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
JAN B:602;
 Valid;
 none;
 submit data
489.396 C27 H22 Cl2 N4 O Cn1cn...
ZN B:601;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
K B:607;
 Invalid;
 none;
 submit data
39.098 K [K+]
FPP B:603;
 Valid;
 none;
 submit data
382.326 C15 H28 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L9P 1.45 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS PROTEIN FARNESYLT COMPLEXED WITH THE FII ANALOG, FPT-II, AND THE KCVVM PEPTID ASPERGILLUS FUMIGATUS TERNARY COMPLEX WITH ISOPRENOID AND CAAX PEPTIDE SUBSTRATE FARNESYLTRANSFERASE ISOPRENOID AND CAAX PROTEIN/PEPTIDE SUTRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE FUNGAL PATHOGEN ASPERGILL FUMIGATUS PROTEIN FARNESYLTRANSFERASE COMPLEXED WIT SUBSTRATES AND INHIBITORS REVEAL FEATURES FOR ANTIF DRUG DESIGN. PROTEIN SCI. V. 23 289 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4LNG - JAN C27 H22 Cl2 N4 O Cn1cncc1[C....
2 4MBG - FPP C15 H28 O7 P2 CC(=CCC/C(....
3 4L9P - FII C17 H30 N O5 P CC(=CCC/C(....
4 4LNB - ED5 C32 H42 N6 O4 S Cc1ccccc1S....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4LNG - JAN C27 H22 Cl2 N4 O Cn1cncc1[C....
2 4MBG - FPP C15 H28 O7 P2 CC(=CCC/C(....
3 4L9P - FII C17 H30 N O5 P CC(=CCC/C(....
4 4LNB - ED5 C32 H42 N6 O4 S Cc1ccccc1S....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4LNG - JAN C27 H22 Cl2 N4 O Cn1cncc1[C....
2 4MBG - FPP C15 H28 O7 P2 CC(=CCC/C(....
3 4L9P - FII C17 H30 N O5 P CC(=CCC/C(....
4 4LNB - ED5 C32 H42 N6 O4 S Cc1ccccc1S....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JAN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JAN 1 1
2 JKF 0.449541 0.833333
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: JAN; 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 : 4L9P; Ligand: FII; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4l9p.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3DST GRG 38.0665
2 3Q78 FPS 47.5645
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