PDBsum entry 3rix

Oxidoreductase/oxidoreductase inhibitor

PDB id: 3rix

Contents

Protein chain

428 a.a.

Ligands

923

Waters ×283

PDB id:

3rix

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

1.7a resolution structure of a firefly luciferase-aspulvinone j inhibitor complex

Structure:

Luciferin 4-monooxygenase. Chain: a. Synonym: luciferase. Ec: 1.13.12.7

Source:

Photinus pyralis. North american firefly. Organism_taxid: 7054

Resolution:

1.70Å R-factor: 0.191 R-free: 0.218

Authors:

S.Lovell,K.P.Battaile,P.C.Lopez,D.S.Auld,P.J.Schultz,R.Macarthur, M.Shen,G.Tamayo,J.Inglese,D.H.Sherman

Key ref:

P.G.Cruz et al. (2011). Titration-based screening for evaluation of natural product extracts: identification of an aspulvinone family of luciferase inhibitors. Chem Biol, 18, 1442-1452. PubMed id: 22118678

Date:

14-Apr-11 Release date: 07-Dec-11

Protein chain

P08659  (LUCI_PHOPY) -  Luciferin 4-monooxygenase from Photinus pyralis

Seq: 550 a.a.

Struc: 428 a.a.

Enzyme reactions

• Enzyme class: E.C.1.13.12.7 - firefly luciferase.
• Pathway: Photinus-luciferin 4-monooxygenase (ATP-hydrolysing)
• Reaction: firefly D-luciferin + ATP + O2 = firefly oxyluciferin + hnu + AMP + CO2 + diphosphate

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

reference

Chem Biol 18:1442-1452 (2011)

PubMed id: 22118678

Titration-based screening for evaluation of natural product extracts: identification of an aspulvinone family of luciferase inhibitors.

P.G.Cruz, D.S.Auld, P.J.Schultz, S.Lovell, K.P.Battaile, R.MacArthur, M.Shen, G.Tamayo-Castillo, J.Inglese, D.H.Sherman.

ABSTRACT

No abstract given.