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Structure paper

TitleDesign of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 55, Page 3725-3728, Year 2019
Publish dateOct 26, 2018 (structure data deposition date)
AuthorsSaez Cabodevilla, J. / Volbeda, A. / Hamelin, O. / Latour, J.M. / Gigarel, O. / Clemancey, M. / Darnault, C. / Reichmann, D. / Amara, P. / Fontecilla-Camps, J.C. / Ollagnier de Choudens, S.
External linksChem. Commun. (Camb. ) / PubMed:30855610
MethodsX-ray diffraction
Resolution1.64 - 2.1 Å
Structure data

PDB-6i0k:
Structure of quinolinate synthase in complex with 4-mercaptophthalic acid
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-6i0p:
Structure of quinolinate synthase in complex with 6-mercaptopyridine-2,3-dicarboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6i0r:
Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-SF4:
IRON/SULFUR CLUSTER

ChemComp-GZ8:
4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-QAS:
6-mercaptopyridine-2,3-dicarboxylic acid

ChemComp-FE:
Unknown entry

ChemComp-H2S:
HYDROSULFURIC ACID

ChemComp-QAT:
5-mercaptopyridine-2,3-dicarboxylic acid

Source
  • thermotoga maritima msb8 (bacteria)
  • thermotoga maritima (strain atcc 43589 / msb8 / dsm 3109 / jcm 10099) (bacteria)
KeywordsTRANSFERASE / NAD BIOSYNTHESIS / IRON SULFUR CLUSTER

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