scholarly journals Evidence for a conserved binding motif of the dinuclear metal site in mammalian and plant purple acid phosphatases: 1H NMR studies of the di-iron derivative of the Fe(III)Zn(II) enzyme from kidney bean

1997 ◽  
Vol 323 (3) ◽  
pp. 593-596 ◽  
Author(s):  
Gianantonio BATTISTUZZI ◽  
Markus DIETRICH ◽  
Renate LÖCKE ◽  
Herbert WITZEL
Keyword(s):  
1H Nmr ◽  
Metal Binding ◽  
Mammalian Species ◽  
Kidney Bean ◽  
Iron Core ◽  
Binding Motif ◽  
Acid Phosphatases ◽  
Nmr Studies ◽  
Purple Acid Phosphatases ◽  
Plant Enzyme

The di-iron core of mammalian purple acid phosphatases has been reproduced in the plant enzyme from kidney bean (Mr 111000) upon insertion of an Fe(II) ion in place of the native zinc(II) in the dinuclear Fe(III)Zn(II) core. The shortening of the electronic relaxation time of the metal centre allows detection of hyperfine-shifted 1H NMR resonances, although severe broadening due to Curie relaxation prevents independent signal assignment. Nevertheless, comparison of the spectral features of the structurally characterized plant enzyme with those of the mammalian species, which were previously extensively assigned, is consistent with a close similarity of the metal-binding sites, also suggested by previous sequence-alignment studies. Some differences appear to be mainly localized at the M(II) site. Spectral comparison was also carried out on the Fe(III)Co(II) derivatives.

Molecular modeling utilizing purple acid phosphatase biomimetic models

2004 ◽  
Vol 82 (11) ◽  
pp. 1619-1624 ◽  
Author(s):  
Lilian W Paes ◽  
Roberto B Faria ◽  
Juan O Machuca-Herrera ◽  
Ademir Neves ◽  
Sérgio P Machado
Keyword(s):  
Molecular Modeling ◽  
Molecular Mechanics ◽  
Atomic Orbital ◽  
Mixed Valence ◽  
Purple Acid Phosphatase ◽  
Iron Core ◽  
Acid Phosphatases ◽  
Model Complexes ◽  
Model Complex ◽  
Purple Acid Phosphatases

Purple acid phosphatases (PAPs) constitute a new class of metalloenzymes that catalyze the hydrolysis of certain phosphate esters, including nucleoside di- and triphosphates and aryl phosphates, under acidic conditions. To provide some insight into these metalloenzymes we have performed quantum chemical and molecular mechanics calculations based on the mixed-valence [FeIIFeIII(BPBPMP)(OAc)2]+ model complex (1) (H2BPBPMP = 2-bis[{(2-pyridylmethyl)-aminomethyl}-6-{(2-hydroxybenzyl)-(2-pyridylmethyl)}-aminomethyl]-4-methylphenol). The geometric and the vibrational parameters calculated by molecular mechanics show that the force fields established in this work reproduce the binuclear iron core with µ-phenoxo or µ-alkoxo and di-µ-acetate bridges presented in the PAPs model complexes. The atomic orbital analysis of the SOMO contributions indicated that the FeIII atom and the terminal phenolate are involved in the phenolate to FeIII charge transfer electronic transition in 1 as argued from electronic spectroscopic data in the PAPs. Key words: mixed-valence FeIIFeIII complex, purple acid phosphatases, molecular modeling.

1H NMR studies of [N-MeAib1, Tyr(Me)4]ANGII and [N-MeAib1, Tyr(Me)4, Ile8]ANGII in dimethylsulfoxide by nuclear Overhauser effect (NOE) enhancement spectroscopy: cis-trans Isomerism of the His-Pro bond

1990 ◽  
Vol 55 (4) ◽  
pp. 1106-1111 ◽  
Author(s):  
John Matsoukas ◽  
Paul Cordopatis ◽  
Raghav Yamdagni ◽  
Graham J. Moore
Keyword(s):  
1H Nmr ◽  
Nuclear Overhauser Effect ◽  
Nmr Studies ◽  
Restricted Rotation ◽  
Overhauser Effect ◽  
Major Isomer ◽  
Conformational Properties ◽  
Nuclear Overhauser

The conformational properties of the Sarmesin analogues [N-MeAib1, Tyr(Me)4]ANGII and [N-MeAib1, Tyr(Me)4, Ile8]ANGII in hexadeutero-dimethysulfoxide were investigated by Nuclear Overhauser Effect (NOE) Enhancement Studies. Cis-trans isomers (ratio 1 : 6) due to restricted rotation of the His-Pro bond were observed. Interresidue interactions between the His Cα proton and the two Pro Cδ protons revealed that the major isomer was the trans.

ChemInform Abstract: HPLC and 1H NMR Studies of Alkaline Hydrolysis of Some 7-(Oxyiminoacyl) cephalosporins.

ChemInform ◽  
2010 ◽  
Vol 25 (11) ◽  
pp. no-no
Author(s):  
B. VILANOVA ◽  
F. MUNOZ ◽  
J. DONOSO ◽  
F. GARCIA BLANCO
Keyword(s):  
1H Nmr ◽  
Alkaline Hydrolysis ◽  
Nmr Studies ◽  
Hydrolysis Of

ChemInform Abstract: 1H NMR Studies of the System Ti3SbHx

ChemInform ◽  
1989 ◽  
Vol 20 (14) ◽  
Author(s):  
N. RAJALAKSHMI ◽  
K. V. S. R. RAO ◽  
A. WEISS
Keyword(s):  
1H Nmr ◽  
Nmr Studies

Crystal structure of trans-[W(CO)4(η2-C2H4)2] and IR and 1H NMR studies of the reactions of this and related ethene carbonyl complexes of tungsten(0), [W(CO)n(η2-C2H4)6- n] ( n=3–5)

1999 ◽  
Vol 23 (4) ◽  
pp. 407-416 ◽  
Author(s):  
Teresa Szymańska-Buzar ◽  
Krystyna Kern ◽  
Anthony J. Downs ◽  
Timothy M. Greene ◽  
Leigh J. Morris ◽  
...  
Keyword(s):  
Crystal Structure ◽  
1H Nmr ◽  
Carbonyl Complexes ◽  
Nmr Studies

1H NMR studies of the adsorption of water on silicalite

1998 ◽  
Vol 23 (3-4) ◽  
pp. 189-196 ◽  
Author(s):  
V.V. Turov ◽  
V.V. Brei ◽  
K.N. Khomenko ◽  
R. Leboda
Keyword(s):  
1H Nmr ◽  
Nmr Studies ◽  
Adsorption Of Water

scholarly journals Circular dichroism and 1H NMR studies of Co2+- and Ni2+-substituted concanavalin A and the lentil and pea lectins.

1987 ◽  
Vol 262 (35) ◽  
pp. 16985-16994
Author(s):  
I Bertini ◽  
M S Viezzoli ◽  
C Luchinat ◽  
E Stafford ◽  
A D Cardin ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
1H Nmr ◽  
Concanavalin A ◽  
Nmr Studies ◽  
Circular Dichroïsm
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