Brand  (β version)

PDB ID: 6DEP

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Ligands
Code Name Style Show Link
1SM Methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate PoSSuM
FAD Flavin-adenine dinucleotide PoSSuM
K Potassium ion PoSSuM
MG Magnesium ion PoSSuM
TP9 (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate PoSSuM
TZD 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate PoSSuM
Non-standard Residues
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Structure summary

Code : 6DEP   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl
Release Data : 2018-09-26
Compound :
mol_id molecule chains
1 Acetolactate synthase A
ec: 2.2.1.6
Source :
mol_id organism_scientific organism_common expression_system
1 Candida albicans (strain SC5314 / ATCC MYA-2876)  (taxid:237561) Yeast Escherichia coli BL21(DE3)  (taxid:469008)
strain: SC5314 / ATCC MYA-2876
atcc: SC5314
gene: ILV2, orf19.1613, CAALFM_C302320WA
expression_system_vector_type: plasmid
expression_system_plasmid: pET30a(+)
Authors : Garcia, M.D., Guddat, L.W.
Keywords : AHAS, acetohydroxyacid synthase, acetolactate synthase, herbicide, thiamin diphosphate, FAD, transferase, sulfometuron methyl, sulfonylurea, transferase-transferase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.149 Å )
Citation :

Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.

Garcia, M.D.,Chua, S.M.H.,Low, Y.S.  et al.
(2018)  Proc. Natl. Acad. Sci. U.S.A.  115 : E9649 - E9658

PubMed: 30249642
DOI: 10.1073/pnas.1809422115

Reaction

Chain : A
UniProt : A0A1D8PJF9 (A0A1D8PJF9_CANAL)
Reaction: EC: Evidence:
Physiological Direction:
2 pyruvate + H(+) = (2S)-2-acetolactate + CO2 2.2.1.6 RuleBase:RU003591
-
Cofactor: Evidence: Note:
Mg(2+) ECO:0000256 | RuleBase:RU003591
Binds 1 Mg(2+) ion per subunit.
thiamine diphosphate ECO:0000256 | RuleBase:RU003591
Binds 1 thiamine pyrophosphate per subunit.