Pentaerythritol tetranitrate reductase

From Proteopedia

FMN containing pentaerythritol tetranitrate reductase complex with prednisone (PDB entry 1h61) Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image 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]. See also: Corticosteroids and Steroid Hormones and their receptors. Structural highlights PTENR active site contains the cofactor and the [2]. Water molecules are shown as red spheres. .

3D structures of pentaerythritol tetranitrate reductase

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

References

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