Pentaerythritol tetranitrate reductase

Function

Pentaerythritol tetranitrate reductase (PTENR) reduces high explosive molecules like nitrate esters, nitroaromatics and cyclic triazine compounds by releasing their NO₂ moiety. PTENR can bind cyclic enones like steroids which can act as substrates or inhibitors^[1].

Structural highlights

PTENR active site contains the cofactor and the ^[2]. Water molecules are shown as red spheres. .

FMN containing pentaerythritol tetranitrate reductase complex with prednisone (PDB entry 1h61)

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3D structures of pentaerythritol tetranitrate reductase3D structures of pentaerythritol tetranitrate reductase

Updated on 18-July-2024

1h50, 1h63, 3p62, 3p74, 5lgx – EcPTENR + FMN– Enterobacter cloacae
6gi7, 6gi8, 6gi9, 6gia – EcPTENR (mutant) + FMN
5lgz – EcPTENR + FMN derivative
1h60, 1h61, 1h62, 2aba – EcPTENR + steroid + FMN
1gvo, 1gvq, 1gvr, 1gvs, 1vyr, 3f03, 3p7y, 3p80, 3p81 - EcPTENR + nitroaromatic + FMN
1vyp, 1vys - EcPTENR (mutant) + nitroaromatic + FMN
1h51 - EcPTENR + SCN + FMN
2abb - EcPTENR (mutant) + SCN + FMN
3kft - EcPTENR + NAD + FMN
3p67, 3p82, 3p84, 3p8i, 3p8j - EcPTENR (mutant) + acetate + FMN

ReferencesReferences

↑ Khan H, Harris RJ, Barna T, Craig DH, Bruce NC, Munro AW, Moody PC, Scrutton NS. Kinetic and structural basis of reactivity of pentaerythritol tetranitrate reductase with NADPH, 2-cyclohexenone, nitroesters, and nitroaromatic explosives. J Biol Chem. 2002 Jun 14;277(24):21906-12. Epub 2002 Mar 28. PMID:11923299 doi:10.1074/jbc.M200637200
↑ Barna TM, Khan H, Bruce NC, Barsukov I, Scrutton NS, Moody PC. Crystal structure of pentaerythritol tetranitrate reductase: "flipped" binding geometries for steroid substrates in different redox states of the enzyme. J Mol Biol. 2001 Jul 6;310(2):433-47. PMID:11428899 doi:10.1006/jmbi.2001.4779

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

Michal Harel, Alexander Berchansky, Joel L. Sussman

[1] Khan H, Harris RJ, Barna T, Craig DH, Bruce NC, Munro AW, Moody PC, Scrutton NS. Kinetic and structural basis of reactivity of pentaerythritol tetranitrate reductase with NADPH, 2-cyclohexenone, nitroesters, and nitroaromatic explosives. J Biol Chem. 2002 Jun 14;277(24):21906-12. Epub 2002 Mar 28. PMID:11923299 doi:10.1074/jbc.M200637200

[2] Barna TM, Khan H, Bruce NC, Barsukov I, Scrutton NS, Moody PC. Crystal structure of pentaerythritol tetranitrate reductase: "flipped" binding geometries for steroid substrates in different redox states of the enzyme. J Mol Biol. 2001 Jul 6;310(2):433-47. PMID:11428899 doi:10.1006/jmbi.2001.4779

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