Molecular Modelling Studies on the Catalytic Mechanism of Candida Rugosa Lipase

被引：0

作者：

Peter Monecke

Rudolf Friedemann

Stefan Naumann

René Csuk

机构：

[1] Institute of Organic Chemistry,

[2] Martin-Luther-University Halle-Wittenberg,undefined

[3] Kurt-Mothes-Strasse 2,undefined

[4] D-06120 Halle (Saale),undefined

[5] Germany. Tel: +49-345 5525668; Fax: +49-345 5527608. E-mail: friedemann@chemie.uni-halle.de,undefined

来源：

Molecular modeling annual | 1998年 / 4卷

关键词：

Keywords Computer simulations; Catalytic mechanism; Ester hydrolysis; Protein modelling; Molecular orbital calculations;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Quantum chemical and molecular dynamics investigations have been performed on model systems for Candida rugosa lipase (CRL) to study mechanistic and conformational features of the catalytic hydrolysis. Based on X-ray data, a simplified model of the CRL substrate complex was created for the PM3 and ab initio calculations, including the amino acid residues both of the catalytic triad and the oxyanion hole.

引用

页码：395 / 404

页数：9

共 50 条

[1] Molecular modelling studies on the catalytic mechanism of Candida rugosa lipase
Monecke, P
Friedemann, R
Naumann, S
Csuk, R
JOURNAL OF MOLECULAR MODELING, 1998, 4 (12) : 395 - 404
[2] Catalytic activity of Candida Rugosa lipase
Chen, Gui-Quan
Zheng, Er-Li
Modern Food Science and Technology, 2013, 29 (04) : 826 - 828
[3] Molecular Docking Studies on the Interaction of 2-Arylpropionate Esters with Candida rugosa lipase
Liu, Xue-ying
Zeng, Hong-yan
Peng, Deng-hong
Gohi, Bi Foua Claude Alain
Huang, Qing-jun
Yu, Chao
Li, Yu-qin
FRONTIERS OF MANUFACTURING AND DESIGN SCIENCE IV, PTS 1-5, 2014, 496-500 : 520 - 523
[4] Candida rugosa lipase isozymes
Lotti, M
Alberghina, L
ENGINEERING OF/WITH LIPASES, 1996, 317 : 115 - 124
[5] Experimental and in silico studies on the interaction of a rhamnolipids with Candida rugosa lipase
Jama, D.
Salek, K.
Euston, S. R.
Kruszelnicki, M.
Polowczyk, I.
Lazar, Z.
Janek, T.
FEBS OPEN BIO, 2022, 12 : 253 - 254
[6] A MODEL FOR LIPASE PRODUCTION BY CANDIDA RUGOSA
SERRA, P
DELRIO, JL
ROBUSTE, J
POCH, M
SOLA, C
CHERUY, A
BIOPROCESS ENGINEERING, 1992, 8 (3-4): : 145 - 150
[7] Isolation of Candida rugosa lipase isoforms
Trbojevic, Jovana N.
Dimitrijevic, Aleksandra S.
Velickovic, Dusan V.
Gavrovic-Jankulovic, Marija
Milosavic, Nenad B.
HEMIJSKA INDUSTRIJA, 2013, 67 (05) : 703 - 706
[8] DEACTIVATION OF CANDIDA-RUGOSA LIPASE
SOHN, HS
CHUNG, SS
RHEE, JS
BIOTECHNOLOGY LETTERS, 1987, 9 (02) : 117 - 122
[9] CRYSTALLIZATION AND CHARACTERIZATION OF A CANDIDA RUGOSA LIPASE
RUBIN, B
CYGLER, M
SMITH, P
LI, YG
HARRISON, D
BIOCHEMISTRY, 1992, 31 (07) : 2204 - 2204
[10] Molecular basis for the stereospecificity of Candida rugosa lipase (CRL) towards ibuprofen
Lakshmi, BS
Kangueane, P
Guo, Y
Chen, YZ
Gautam, P
BIOCATALYSIS AND BIOTRANSFORMATION, 2000, 17 (06) : 475 - 486

← 1 2 3 4 5 →