Dynamic hydrogen-bonding network in the distal pocket of the nitrosyl complex of pseudomonas aeruginosa cd1 nitrite reductase

Journal of the American Chemical Society

Volumn 133, Issue 9, 2011, Pages 3043-3055

  Radoul, Marina ^a   Bykov, Dmytro ^b   Rinaldo, Serena ^c   Cutruzzolà, Francesca ^c   Neese, Frank ^b   Goldfarb, Daniella ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b UNIVERSITY OF BONN   (Germany)

^c SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; COMPLEX STABILITY; DEAD-END PRODUCTS; DENITRIFICATION PROCESS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DISTAL HISTIDINE; DISTAL POCKET; ELECTRON NUCLEAR DOUBLE RESONANCE; GEOMETRIC STRUCTURE; H-BONDING; H-BONDING NETWORKS; H-BONDS; HEME COFACTOR; HEME COMPLEXES; HIGH FIELD; HYDROGEN BONDING NETWORK; KEY ENZYMES; N-O COMPLEXES; NITRITE REDUCTASE; NITROSO; NITROSYL COMPLEX; NO DISSOCIATION; PROTONATION STATE; PSEUDOMONAS AERUGINOSA; SOLVENT ACCESSIBILITY; WILD TYPES;

AMINO ACIDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENZYME INHIBITION; ENZYMES; HYDROGEN BONDS; INFRARED DEVICES; NITRIC OXIDE; PORPHYRINS; REACTION KINETICS;

CRYSTAL STRUCTURE;

FERRIC ION; FERROUS ION; HEME; HISTIDINE; NITRIC OXIDE; NITRITE; NITRITE REDUCTASE; NITROSO DERIVATIVE; SOLVENT; TYROSINE;

ARTICLE; CHEMICAL BINDING; COMPLEX FORMATION; DENITRIFICATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENZYME SUBSTRATE; HYDROGEN BOND; MOLECULAR DYNAMICS; NITROSYLATION; NONHUMAN; PROTON TRANSPORT; PSEUDOMONAS AERUGINOSA;

ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDROGEN BONDING; MODELS, MOLECULAR; NITRIC OXIDE; NITRITE REDUCTASES; PSEUDOMONAS AERUGINOSA;

EID: 79952262446     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja109688w     Document Type: Article

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