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7acn

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[[Image:7acn.gif|left|200px]]
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==Overview==
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{{ABSTRACT_1547214}}
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The crystal structures of mitochondrial aconitase with isocitrate and nitroisocitrate bound have been solved and refined to R factors of 0.179 and 0.161, respectively, for all observed data in the range 8.0-2.1 A. Porcine heart enzyme was used for determining the structure with isocitrate bound. The presence of isocitrate in the crystals was corroborated by Mossbauer spectroscopy. Bovine heart enzyme was used for determining the structure with the reaction intermediate analogue nitroisocitrate bound. The inhibitor binds to the enzyme in a manner virtually identical to that of isocitrate. Both compounds bind to the unique Fe atom of the [4Fe-4S] cluster via a hydroxyl oxygen and one carboxyl oxygen. A H2O molecule is also bound, making Fe six-coordinate. The unique Fe is pulled away approximately 0.2 A from the corner of the cubane compared to the position it would occupy in a symmetrically ligated [4Fe-4S] cluster. At least 23 residues from all four domains of aconitase contribute to the active site. These residues participate in substrate recognition (Arg447, Arg452, Arg580, Arg644, Gln72, Ser166, Ser643), cluster ligation and interaction (Cys358, Cys421, Cys424, Asn258, Asn446), and hydrogen bonds supporting active site side chains (Ala74, Asp568, Ser571, Thr567). Residues implicated in catalysis are Ser642 and three histidine-carboxylate pairs (Asp100-His101, Asp165-His147, Glu262-His167). The base necessary for proton abstraction from C beta of isocitrate appears to be Ser642; the O gamma atom is proximal to the calculated hydrogen position, while the environment of O gamma suggests stabilization of an alkoxide (an oxyanion hole formed by the amide and side chain of Arg644). The histidine-carboxylate pairs appear to be required for proton transfer reactions involving two oxygens bound to Fe, one derived from solvent (bound H2O) and one derived from substrate hydroxyl. Each oxygen is in contact with a histidine, and both are in contact with the side chain of Asp165, which bridges the two sites on the six-coordinate Fe.
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==About this Structure==
==About this Structure==
7ACN is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. The following page contains interesting information on the relation of 7ACN with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb89_1.html Aconitase and Iron Regulatory Protein 1]]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ACN OCA].
7ACN is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. The following page contains interesting information on the relation of 7ACN with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb89_1.html Aconitase and Iron Regulatory Protein 1]]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ACN OCA].
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==Reference==
 
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Crystal structures of aconitase with isocitrate and nitroisocitrate bound., Lauble H, Kennedy MC, Beinert H, Stout CD, Biochemistry. 1992 Mar 17;31(10):2735-48. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/1547214 1547214]
 
[[Category: Aconitase and Iron Regulatory Protein 1]]
[[Category: Aconitase and Iron Regulatory Protein 1]]
[[Category: Aconitate hydratase]]
[[Category: Aconitate hydratase]]
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[[Category: Lauble, H.]]
[[Category: Lauble, H.]]
[[Category: Stout, C D.]]
[[Category: Stout, C D.]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:43:42 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jun 26 18:31:03 2008''

Revision as of 15:31, 26 June 2008

Image:7acn.png


PDB ID 7acn

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7acn, resolution 2.00Å ()
Ligands: ,
Non-Standard Residues:
Activity: Aconitate hydratase, with EC number 4.2.1.3
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND


Template:ABSTRACT 1547214

About this Structure

7ACN is a Single protein structure of sequence from Sus scrofa. The following page contains interesting information on the relation of 7ACN with [Aconitase and Iron Regulatory Protein 1]. Full crystallographic information is available from OCA.

Page seeded by OCA on Thu Jun 26 18:31:03 2008

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