Structure of quinolinate synthase in complex with 6-mercaptopyridine-2,3-dicarboxylic acid

Summary for 6I0P

DescriptorQuinolinate synthase A, IRON/SULFUR CLUSTER, 6-mercaptopyridine-2,3-dicarboxylic acid, ... (6 entities in total)
Functional Keywordsnad biosynthesis, iron sulfur cluster, transferase
Biological sourceThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Total number of polymer chains1
Total molecular weight35321.85
Volbeda, A.,Fontecilla-Camps, J.C. (deposition date: 2018-10-26, release date: 2019-03-20, Last modification date: 2019-04-03)
Primary citation
Saez 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.
Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55:3725-3728, 2019
PubMed: 30855610 (PDB entries with the same primary citation)
DOI: 10.1039/c8cc09023h
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20310 0.7% 1.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6i0p
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Molmil generated image of 6i0p
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Molmil generated image of 6i0p
rotated about y axis by 90°