6G74

Structure of the Y21F variant of quinolinate synthase in complex with phthalate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Quinolinate synthase A	polymer	304	34509.4	2	UniProt (Q9X1X7) Pfam (PF02445) In PDB	Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
2	A, B	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
3	A, B	PHTHALIC ACID	non-polymer		166.1	2	Chemie (PHT)
4		water	water		18.0	413	Chemie (HOH)

Sequence modifications

A, B: 1 - 298 (UniProt: Q9X1X7)

PDB	External Database	Details
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	2
	Total formula weight	69018.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1035.5
All*	Total formula weight	70054.3

*Water molecules are not included.