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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F12%3A00377367%21RIV13-AV0-61388963
rdf:type
n15:Vysledek skos:Concept
dcterms:description
Large-scale QM/MM and QM calculations were carried out on the soluble delta-9 desaturase (D9D) to investigate various structural models of the spectroscopically defined peroxodiferric (P) intermediate. This allowed us to formulate a consistent mechanistic picture for the initial stages of the reaction mechanism of D9D, an important diferrous non-heme iron enzyme that cleaves the C-H bonds in alkane chains resulting in the highly specific insertion of double bonds. Large-scale QM/MM and QM calculations were carried out on the soluble delta-9 desaturase (D9D) to investigate various structural models of the spectroscopically defined peroxodiferric (P) intermediate. This allowed us to formulate a consistent mechanistic picture for the initial stages of the reaction mechanism of D9D, an important diferrous non-heme iron enzyme that cleaves the C-H bonds in alkane chains resulting in the highly specific insertion of double bonds.
dcterms:title
Structural and Spectroscopic Properties of the Peroxodiferric Intermediate of Ricinus communis Soluble Delta(9) Desaturase Structural and Spectroscopic Properties of the Peroxodiferric Intermediate of Ricinus communis Soluble Delta(9) Desaturase
skos:prefLabel
Structural and Spectroscopic Properties of the Peroxodiferric Intermediate of Ricinus communis Soluble Delta(9) Desaturase Structural and Spectroscopic Properties of the Peroxodiferric Intermediate of Ricinus communis Soluble Delta(9) Desaturase
skos:notation
RIV/61388963:_____/12:00377367!RIV13-AV0-61388963
n15:predkladatel
n18:ico%3A61388963
n4:aktivita
n19:P n19:Z
n4:aktivity
P(LC512), Z(AV0Z40550506)
n4:cisloPeriodika
5
n4:dodaniDat
n10:2013
n4:domaciTvurceVysledku
Rokob, Tibor András n13:6559433 n13:7465157
n4:druhVysledku
n17:J
n4:duvernostUdaju
n5:S
n4:entitaPredkladatele
n7:predkladatel
n4:idSjednocenehoVysledku
171805
n4:idVysledku
RIV/61388963:_____/12:00377367
n4:jazykVysledku
n11:eng
n4:klicovaSlova
diferrous non-heme iron enzyme; QM/MM calculations; delta-9; desaturase; reaction mechanism
n4:klicoveSlovo
n9:desaturase n9:delta-9 n9:QM%2FMM%20calculations n9:reaction%20mechanism n9:diferrous%20non-heme%20iron%20enzyme
n4:kodStatuVydavatele
US - Spojené státy americké
n4:kontrolniKodProRIV
[FAAA208F01E3]
n4:nazevZdroje
Inorganic Chemistry
n4:obor
n8:CF
n4:pocetDomacichTvurcuVysledku
3
n4:pocetTvurcuVysledku
6
n4:projekt
n20:LC512
n4:rokUplatneniVysledku
n10:2012
n4:svazekPeriodika
51
n4:tvurceVysledku
Rokob, Tibor András Solomon, E. I. Schwartz, J. K. Srnec, Martin Rulíšek, Lubomír Kwak, Y.
n4:wos
000301007100014
n4:zamer
n14:AV0Z40550506
s:issn
0020-1669
s:numberOfPages
15
n16:doi
10.1021/ic2018067