Enzymatic ring-opening mechanism of verdoheme by the heme oxygenase: A combined X-ray crystallography and QM/MM study

Journal of the American Chemical Society

Volumn 132, Issue 37, 2010, Pages 12960-12970

  Lai, Wenzhen ^a   Chen, Hui ^a   Matsui, Toshitaka ^b   Omori, Kohei ^b   Unno, Masaki ^b,c   Ikeda Saito, Masao ^b   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b TOHOKU UNIVERSITY   (Japan)

^c IBARAKI UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANAEROBIC CONDITIONS; BOND-BREAKING; COMPLEX CRYSTALS; CORYNEBACTERIUM DIPHTHERIAE; DISTAL POCKET; HEME DEGRADATION; HEME OXYGENASES; IRON HOMEOSTASIS; PROTON SHUTTLE; QM/MM CALCULATIONS; RATE DETERMINING STEP; REACTION MECHANISM; RING OPENING; SPECTRAL ANALYSIS; WATER CLUSTER; X-RAY DIFFRACTION MEASUREMENTS;

DEGRADATION; IRON; MINERALOGY; PORPHYRINS; PROTONS; SELF ASSEMBLY; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS; X RAYS;

CRYSTAL STRUCTURE;

BILIVERDIN; HEME; HEME OXYGENASE; HYDROGEN PEROXIDE; OXYGEN; UNCLASSIFIED DRUG; VERDOHEME;

ARTICLE; BIOCATALYST; CALCULATION; CATALYSIS; CHEMICAL BOND; CORYNEBACTERIUM DIPHTHERIAE; CRYSTAL STRUCTURE; CRYSTALLIZATION; DEGRADATION; ELECTRON TRANSPORT; PROTON TRANSPORT; REACTION ANALYSIS; RING OPENING; SPECTROSCOPY; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

AZIDES; BACTERIAL PROTEINS; CORYNEBACTERIUM DIPHTHERIAE; CRYSTALLOGRAPHY, X-RAY; HEME; HEME OXYGENASE (DECYCLIZING); MODELS, MOLECULAR; OXIDATION-REDUCTION; PROTEIN CONFORMATION; QUANTUM THEORY; WATER;

EID: 77956626980     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja104674q     Document Type: Article

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