6I0P

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Quinolinate synthase A	polymer	305	34640.6	1	UniProt (Q9X1X7) Pfam (PF02445) In PDB	Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
2	A	IRON/SULFUR CLUSTER	non-polymer		351.6	1	Chemie (SF4)
3	A	6-mercaptopyridine-2,3-dicarboxylic acid	non-polymer		199.2	1	Chemie (QAS)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6		water	water		18.0	310	Chemie (HOH)

Sequence modifications

A: 1 - 298 (UniProt: Q9X1X7)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Phe 21	Tyr 21	engineered mutation
Arg 219	Lys 219	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34640.6
Non-Polymers*	Number of molecules	4
	Total formula weight	681.2
All*	Total formula weight	35321.8

*Water molecules are not included.