PDBsum entry 3n1v

Transferase/transferase inhibitor

PDB id: 3n1v

Contents

Protein chain

343 a.a. *

Ligands

3N1 ×2

PO4

Waters ×115

* Residue conservation analysis

PDB id:

3n1v

Name:

Transferase/transferase inhibitor

Title:

Human fpps complex with fbs_01

Structure:

Farnesyl pyrophosphate synthase. Chain: f. Fragment: residues 72-419. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: fdps, fps, kiaa1293. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.18Å R-factor: 0.220 R-free: 0.243

Authors:

J.-M.Rondeau

Key ref:

W.Jahnke et al. (2010). Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat Chem Biol, 6, 660-666. PubMed id: 20711197

Date:

17-May-10 Release date: 18-Aug-10

Protein chain

P14324  (FPPS_HUMAN) -  Farnesyl pyrophosphate synthase from Homo sapiens

Seq: 419 a.a.

Struc: 343 a.a.

Enzyme reactions

• Enzyme class 1: E.C.2.5.1.1 - dimethylallyltranstransferase.
• Pathway: Terpenoid biosynthesis
• Reaction: isopentenyl diphosphate + dimethylallyl diphosphate = (2E)- geranyl diphosphate + diphosphate

isopentenyl diphosphate + dimethylallyl diphosphate = (2E)- geranyl diphosphate + diphosphate (Bound ligand (Het Group name = PO4) matches with 55.56% similarity)

• Enzyme class 2: E.C.2.5.1.10 - (2E,6E)-farnesyl diphosphate synthase.

Pathway:

• Reaction: isopentenyl diphosphate + (2E)-geranyl diphosphate = (2E,6E)-farnesyl diphosphate + diphosphate

isopentenyl diphosphate + (2E)-geranyl diphosphate = (2E,6E)-farnesyl diphosphate + diphosphate (Bound ligand (Het Group name = PO4) matches with 55.56% similarity)

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Nat Chem Biol 6:660-666 (2010)

PubMed id: 20711197

Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.

W.Jahnke, J.M.Rondeau, S.Cotesta, A.Marzinzik, X.Pellé, M.Geiser, A.Strauss, M.Götte, F.Bitsch, R.Hemmig, C.Henry, S.Lehmann, J.F.Glickman, T.P.Roddy, S.J.Stout, J.R.Green.

ABSTRACT

No abstract given.