1joa: Difference between revisions
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|PDB= 1joa |SIZE=350|CAPTION= <scene name='initialview01'>1joa</scene>, resolution 2.8Å | |PDB= 1joa |SIZE=350|CAPTION= <scene name='initialview01'>1joa</scene>, resolution 2.8Å | ||
|SITE= <scene name='pdbsite=ACT:Cso+42+Is+The+Native,+Active+CYS-Sulfenic+Acid+(Soh)'>ACT</scene> | |SITE= <scene name='pdbsite=ACT:Cso+42+Is+The+Native,+Active+CYS-Sulfenic+Acid+(Soh)'>ACT</scene> | ||
|LIGAND= <scene name='pdbligand=FAD:FLAVIN-ADENINE DINUCLEOTIDE'>FAD</scene> | |LIGAND= <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene> | ||
|ACTIVITY= [http://en.wikipedia.org/wiki/NADH_peroxidase NADH peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.1 1.11.1.1] | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/NADH_peroxidase NADH peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.1 1.11.1.1] </span> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1joa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1joa OCA], [http://www.ebi.ac.uk/pdbsum/1joa PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1joa RCSB]</span> | |||
}} | }} | ||
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[[Category: Hol, W G.J.]] | [[Category: Hol, W G.J.]] | ||
[[Category: Yeh, J I.]] | [[Category: Yeh, J I.]] | ||
[[Category: cysteine-sulfenic acid]] | [[Category: cysteine-sulfenic acid]] | ||
[[Category: oxidoreductase]] | [[Category: oxidoreductase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:36:33 2008'' | ||
Revision as of 21:36, 30 March 2008
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| , resolution 2.8Å | |||||||
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| Sites: | |||||||
| Ligands: | , | ||||||
| Activity: | NADH peroxidase, with EC number 1.11.1.1 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
NADH PEROXIDASE WITH CYSTEINE-SULFENIC ACID
OverviewOverview
In order to obtain the crystal structure of the flavoprotein NADH peroxidase with its native Cys42-sulfenic acid redox center, a strategy combining reduced exposure of crystals to ambient oxygen and data collection at -160 degrees C was applied. The structure of the native enzyme to 2.8 A resolution is described; these results conclusively establish the existence of the Cys42-sulfenic acid as the functional non-flavin redox center of the peroxidase and provide the first structure for any naturally occurring protein-sulfenic acid. The Cys42-sulfenic acid atoms C alpha-C beta-S gamma-O roughly define a planar arrangement which is stacked parallel to the si face of the FAD isoalloxazine and positions the sulfenyl oxygen atom only 3.3 A from FAD-C4A. His10-N epsilon 2 contributes a hydrogen bond to the sulfenic acid oxygen, at a distance of 3.2 A. Although one oxygen atom (OX1) of the non-native Cys42-sulfonic acid derivative identified in the earlier wild-type peroxidase structure was taken to represent the native Cys42-sulfenic acid oxygen [Stehle, T., Ahmed, S. A., Claiborne, A., & Schulz, G. E. (1991) J. Mol. Biol. 221, 1325-1344], this structure shows that the sulfenic acid oxygen does not occupy this position, nor is it hydrogen-bonded to Cys42-N as was OX1. Comparison of the native Cys42-sulfenic acid structure with that of two-electron reduced glutathione reductase provides an insight into the sulfenic acid FAD charge-transfer interaction observed with both wild-type and His10 mutant peroxidases. A model of the E.NADH intermediate recently observed in stopped-flow analyses of the enzyme [Crane, E. J., III, Parsonage, D., Poole, L. B., & Claiborne, A. (1995) Biochemistry 34, 14114-14124] has also been generated to assist in analyzing the chemical mechanism of sulfenic acid reduction.
About this StructureAbout this Structure
1JOA is a Single protein structure of sequence from Enterococcus faecalis. Full crystallographic information is available from OCA.
ReferenceReference
Structure of the native cysteine-sulfenic acid redox center of enterococcal NADH peroxidase refined at 2.8 A resolution., Yeh JI, Claiborne A, Hol WG, Biochemistry. 1996 Aug 6;35(31):9951-7. PMID:8756456
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