3MMA: Dissimilatory sulfite reductase phosphate complex

Citation:
Abstract
A vital process in the biogeochemical sulfur cycle is the dissimilatory sulfate reduction pathway in which sulfate (SO(4)(-)(2)) is converted to hydrogen sulfide (H(2)S). Dissimilatory sulfite reductase (dSir), its key enzyme, hosts a unique siroheme-[4Fe-4S] cofactor and catalyzes the six-electron reduction of sulfite (SO(3)(2)(-)) to H(2)S. To explore this reaction, we determined the X-ray structures of dSir from the archaeon Archaeoglobus fulgidus in complex with sulfite, sulfide (S(2)(-)) carbon monoxide (CO), cyanide (CN(-)), nitrite (NO(2)(-)), nitrate (NO(3)(-)), and phosphate (PO(4)(3)(-)). Activity measurements indicated that dSir of A. fulgidus reduces, besides sulfite and nitrite, thiosulfate (S(2)O(3)(2)(-)) and trithionate (S(3)O(6)(2)(-)) and produces the latter two compounds besides sulfide. On this basis, a three-step mechanism was proposed, each step consisting of a two-electron transfer, a two-proton uptake, and a dehydration event. In comparison, the related active site structures of the assimilatory sulfite reductase (aSir)- and dSir-SO(3)(2)(-)complexes reveal different conformations of Argalpha170 and Lysalpha211 both interacting with the sulfite oxygens (its sulfur atom coordinates the siroheme iron), a sulfite rotation of ~60 degrees relative to each other, and different access of solvent molecules to the sulfite oxygens from the active site cleft. Therefore, solely in dSir a further sulfite molecule can be placed in van der Waals contact with the siroheme-ligated sulfite or sulfur-oxygen intermediates necessary for forming thiosulfate and trithionate. Although reported for dSir from several sulfate-reducing bacteria, the in vivo relevance of their formation is questionable.
PDB ID: 3MMADownload
MMDB ID: 83511
PDB Deposition Date: 2010/4/19
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.3  Å
Source Organism:
Similar Structures:
Biological Unit for 3MMA: tetrameric; determined by author and by software (PISA)
Molecular Components in 3MMA
Label Count Molecule
Proteins (4 molecules)
2
Sulfite Reductase, Dissimilatory-type Subunit Alpha(Gene symbol: AF_RS02155)
Molecule annotation
2
Sulfite Reductase, Dissimilatory-type Subunit Beta(Gene symbol: AF_RS02160)
Molecule annotation
Chemicals (13 molecules)
1
4
2
8
3
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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