Receptor
PDB id Resolution Class Description Source Keywords
2R42 2.4 Å EC: 2.7.1.36 THE BIOCHEMICAL AND STRUCTURAL BASIS FOR FEEDBACK INHIBITION OF MEVALONATE KINASE AND ISOPRENOID METABOLISM RATTUS NORVEGICUS MEVALONATE KINASE FARNESYL THIODIPHOSPHATE ATP-BINDING CHOLESTEROL BIOSYNTHESIS CYTOPLASM LIPID SYNTHESIS NUCLEOTIDE-BINDING PEROXISOME STEROID BIOSYNTHESIS STEROL BIOSYNTHESIS TRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL BASIS FOR FEEDBACK INHIBITION OF MEVALONATE KINASE AND ISOPRENOID METABOLISM. BIOCHEMISTRY V. 47 3715 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FPS A:400;
Valid;
none;
submit data
398.392 C15 H28 O6 P2 S CC(=C...
MG A:500;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R42 2.4 Å EC: 2.7.1.36 THE BIOCHEMICAL AND STRUCTURAL BASIS FOR FEEDBACK INHIBITION OF MEVALONATE KINASE AND ISOPRENOID METABOLISM RATTUS NORVEGICUS MEVALONATE KINASE FARNESYL THIODIPHOSPHATE ATP-BINDING CHOLESTEROL BIOSYNTHESIS CYTOPLASM LIPID SYNTHESIS NUCLEOTIDE-BINDING PEROXISOME STEROID BIOSYNTHESIS STEROL BIOSYNTHESIS TRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL BASIS FOR FEEDBACK INHIBITION OF MEVALONATE KINASE AND ISOPRENOID METABOLISM. BIOCHEMISTRY V. 47 3715 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KVK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2R42 - FPS C15 H28 O6 P2 S CC(=CCC/C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KVK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2R42 - FPS C15 H28 O6 P2 S CC(=CCC/C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1KVK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2R42 - FPS C15 H28 O6 P2 S CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FPS; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 GGS 1 1
2 FPS 1 1
3 GST 0.911111 0.975
4 AG8 0.701754 0.816327
5 DST 0.5625 0.85
6 OTP 0.551724 0.860465
7 ZTP 0.551724 0.860465
8 VTP 0.551724 0.860465
9 FPP 0.551724 0.880952
10 GRG 0.551724 0.880952
11 0K3 0.54717 0.790698
12 FJP 0.54717 0.809524
13 DSL 0.54717 0.790698
14 HZZ 0.490566 0.785714
15 GPP 0.482759 0.857143
16 FFF 0.476923 0.822222
17 FHP 0.473684 0.704545
18 FGG 0.469697 0.822222
19 ELR 0.455882 0.840909
20 ELU 0.455882 0.840909
21 2CF 0.454545 0.822222
22 FPF 0.454545 0.822222
23 MGM 0.449275 0.685185
24 3E9 0.441176 0.840909
25 FPQ 0.426471 0.734694
26 FII 0.41791 0.6
27 PS7 0.405063 0.804348
28 749 0.403509 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: FPS; 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 : 2R42; Ligand: FPS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2r42.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2R42; Ligand: FPS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2r42.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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