Crystal structures of ethylenediaminetetraacetato metal complexes. V. Structures containing the [Fe(C10H12N2O8)(H2O)]− anion

Soláns, X.; Altaba, M. Font; Garcia-Oricain, J.

doi:10.1107/s0108270184005151

Cited by 49 publications

(23 citation statements)

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“…Previous small molecule crystallography on an EDTA⅐Fe complex revealed similar ligation geometry to that observed in the H9Q structure (24). The oxygen atoms in the small molecule structure that represent Tyr 195 -OH and Tyr 196 -OH in the H9Q structure have ligation distances of 1.98 and 2.10 Å, respectively.…”

Section: Resultsmentioning

confidence: 52%

“…Although the above distances for oxygen atoms are very similar to those reported in Table II, the distances to the liganding nitrogen atoms in the H9Q structure are slightly longer than the previously reported distances of 2.32 and 2.32 Å for the same residues in the small molecule complex. The bond angles in the small molecule complex range from 71.8°to 106.0° (24). In H9Q the angles involving the nitrogen atoms deviate slightly from this range adding to the speculation that these residues may be coordinating the Fe 3ϩ very weakly.…”

Section: Resultsmentioning

confidence: 93%

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High Resolution Structure of an Alternate Form of the Ferric Ion Binding Protein from Haemophilus influenzae

Shouldice

Dougan²,

Skene³

et al. 2003

Journal of Biological Chemistry

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The periplasmic iron binding protein of pathogenic Gram-negative bacteria performs an essential role in iron acquisition from transferrin and other iron sources. Structural analysis of this protein from Haemophilus influenzae identified four amino acids that ligand the bound iron: His 9 , Glu 57 , Tyr 195 , and Tyr 196 . A phosphate provides an additional ligand, and the presence of a water molecule is required to complete the octahedral geometry for stable iron binding. We report the 1.14-Å resolution crystal structure of the iron-loaded form of the H. influenzae periplasmic ferric ion binding protein (FbpA) mutant H9Q. This protein was produced in the periplasm of Escherichia coli and, after purification and conversion to the apo form, was iron-loaded. H9Q is able to bind ferric iron in an open conformation.A surprising finding in the present high resolution structure is the presence of EDTA located at the previously determined anion ternary binding site, where phosphate is located in the wild type holo and apo structures. EDTA contributes four of the six coordinating ligands for iron, with two Tyr residues, 195 and 196, completing the coordination. This is the first example of a metal binding protein with a bound metal⅐EDTA complex. The results suggest that FbpA may have the ability to bind and transport iron bound to biological chelators, in addition to bare ferric iron.

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Section: Resultsmentioning

confidence: 52%

Section: Resultsmentioning

confidence: 93%

High Resolution Structure of an Alternate Form of the Ferric Ion Binding Protein from Haemophilus influenzae

Shouldice

Dougan²,

Skene³

et al. 2003

Journal of Biological Chemistry

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“…It is well known that EDTA can form complexes with bivalent cations with hexacoordination [39] or heptacoordination geometries. [40][41][42] On the basis of the results reported here it could be inferred that only the octahedral hexacoordination symmetry (Figure 10a) In this case, the cation crosslinks could be achieved in two ways: a) hexacoordination could involve four atoms of the same EDTA unit (2 oxygen atoms and 2 nitrogen atoms) and two OH oxygen atoms of polyether chains or carboxylic groups of another macromolecular unit ( Figure 10b); b) heptacoordination could involve six atoms of one EDTA unit (four oxygens and two nitrogens) and one OH group of a PEG 400 chain or carboxylic group (Figure 10c). Finally, owing to the strong selectivity of the chelating ligand toward Mg ions, we can conclude that in the mixed salt materials Li þ cations interact preferentially with the oxygen atoms of macromolecular chains.…”

Section: Structural Hypothesesmentioning

confidence: 99%

Synthesis and characterization of lithium and magnesium complexes based on [EDTA][PEG400] ₂ and [EDTA] ₃ [PEG400] ₇

Noto

Münchow

Vittadello

et al. 2002

Macromol. Chem. Phys.

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“…Crystal structure studies of edta complexes with Na have been carried out (Solans, Font-Altaba & Garcia-Oricain, 1984; Nassimbeni, Wright, van Niekerk & MacCullum, 1979;Templeton, Templeton, Zalkin & Ruben, 1982; Templeton, Templeton & Zalkin, 1985;Solans, Gali, Font-Altaba, Oliva & Herrera, 1988;Lee, 1967;Porai-Koshits, Novozhilova, Polyniva, Filippova & Martynenko, 1973;Pozhidaev, Polynova, Porai-Koshits & Dudakov, 1974), but always on complexes containing a second metal. It is the second metal that is coordinated to the edta ligand in all the crystal structures determined.…”

Section: Commentmentioning

confidence: 99%

Sodium ion complexes with ethylenediaminetetraacetic acid

Font-Bardı́a¹,

Soláns²,

Font‐Altaba³

1993

Acta Crystallogr C

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The crystal structures of tetrasodium (1,2-ethanediyldinitrilo)tetraacetate pentahydrate and disodium dihydrogen (1,2-ethanediyldinitrilo)tetraacetate dihydrate have been determined. Na ions prefer to act as bridges between different edta ligands and only in the tetrasodium salt is the edta ligand hexadentate to one Na ion. Na ions display seven-coordination, when coordinated to one edta ligand (distorted pentagonal bipyramid), and six-coordination, when linked to several edta ligands (from distorted octahedral to trapezoidal bipyramidal geometry). An Na ion in the tetrasodium salt shows five-coordination, because the sixth site is blocked by the edta ligand. H atoms in the disodium salt are linked to amine groups. Only these two salts can be obtained on varying the pH of an aqueous solution containing Na ÷ and ethylenediaminetetraacetic acid. The first is obtained around pH 2-5 and the second around pH 12. CommentThe chelating capacity of the ethylenediaminetetraacetato (edta) ligand has attracted widespread interest and the literature contains a large number of Acta Crystallographica Section C ISSN 0108-2701 ©1993REGULAR STRUCTURAL PAPERS 1453 studies on the crystal structures of metal complexes with this ligand, as well as spectroscopic and electrochemical studies (Hughes & Martell, 1953;Martell & Plumb, 1952;Scharzenbach & Freitag, 1951), aimed at determination of the behaviour of edta. Crystal structure studies of edta complexes with Na have been carried out (Solans, Font-Altaba & Garcia-Oricain, 1984; Nassimbeni, Wright, van Niekerk & MacCullum, 1979;Templeton, Templeton, Zalkin & Ruben, 1982; Templeton, Templeton & Zalkin, 1985;Solans, Gali, Font-Altaba, Oliva & Herrera, 1988;Lee, 1967;Porai-Koshits, Novozhilova, Polyniva, Filippova & Martynenko, 1973;Pozhidaev, Polynova, Porai-Koshits & Dudakov, 1974), but always on complexes containing a second metal. It is the second metal that is coordinated to the edta ligand in all the crystal structures determined. In this paper we report the behaviour of the Na ion when it is alone with the edta ligand, in order to contribute to the understanding of the chemistry of NanHmedta 4-n-m complexes. The Na salts of ethylenediaminetetraacetic acid are interesting in the biochemical and medical field in spite of their toxic effects.The syntheses of the title compounds were carried out in aqueous solutions of Na2CO3 and Haedta at controlled pH; the acidity of the solutions was controlled by addition of HC1 or piperazine. Within the pH range 0.5-14, only two compounds were obtained. Neither of the dry crystalline products obtained decomposes detectably on exposure to laboratory air. From pH-meter analysis we conclude that only the disodium and tetrasodium salts can be obtained from ethylenediaminetetraacetic acid in aqueous solution. This result disagrees with those of Palaty (1963) and does not support the existence of a commercial product with formula Hedta.Na3. Powder diffraction analysis of the commercial product shows that it is an equimolar mixture of the dis...

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Crystal structures of ethylenediaminetetraacetato metal complexes. V. Structures containing the [Fe(C10H12N2O8)(H2O)]− anion

Cited by 49 publications

References 0 publications

High Resolution Structure of an Alternate Form of the Ferric Ion Binding Protein from Haemophilus influenzae

High Resolution Structure of an Alternate Form of the Ferric Ion Binding Protein from Haemophilus influenzae

Synthesis and characterization of lithium and magnesium complexes based on [EDTA][PEG400] ₂ and [EDTA] ₃ [PEG400] ₇

Sodium ion complexes with ethylenediaminetetraacetic acid

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Crystal structures of ethylenediaminetetraacetato metal complexes. V. Structures containing the [Fe(C10H12N2O8)(H2O)]− anion

Cited by 49 publications

References 0 publications

High Resolution Structure of an Alternate Form of the Ferric Ion Binding Protein from Haemophilus influenzae

High Resolution Structure of an Alternate Form of the Ferric Ion Binding Protein from Haemophilus influenzae

Synthesis and characterization of lithium and magnesium complexes based on [EDTA][PEG400] 2 and [EDTA] 3 [PEG400] 7

Sodium ion complexes with ethylenediaminetetraacetic acid

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Synthesis and characterization of lithium and magnesium complexes based on [EDTA][PEG400] ₂ and [EDTA] ₃ [PEG400] ₇