8REN

Crystal structure of reduced ThyX

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Flavin-dependent thymidylate synthase	polymer	232	27503.7	4	UniProt (Q9WYT0) Pfam (PF02511)	Thermotoga maritima	FDTS,FAD-dependent thymidylate synthase,Thymidylate synthase ThyX,TSase
2	E, G (A, B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
3	F, J, K, L (A, B, C, D)	DIHYDROFLAVINE-ADENINE DINUCLEOTIDE	non-polymer		787.6	4	Chemie (FDA)
4	H, I (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	M, N, O, P (A, B, C, D)	water	water		18.0	74	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 220 (UniProt: Q9WYT0)

PDB	External Database	Details
Met -11	-	initiating methionine
Gly -10	-	expression tag
Ser -9	-	expression tag
Asp -8	-	expression tag
Lys -7	-	expression tag
Ile -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	110014.7
Non-Polymers*	Number of molecules	8
	Total formula weight	3751.0
All*	Total formula weight	113765.7

*Water molecules are not included.