8REO

Crystal structure of reduced ThyX in complex with dUMP

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, I, M, Q (A, B, C, D)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	4	Chemie (UMP)
3	F (A)	HEXAETHYLENE GLYCOL	non-polymer		282.3	1	Chemie (P6G)
4	G, L, O, S (A, B, C, D)	DIHYDROFLAVINE-ADENINE DINUCLEOTIDE	non-polymer		787.6	4	Chemie (FDA)
5	H, R (B, D)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
6	J, N, P (B, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
7	K (B)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8	T, U, V, W (A, B, C, D)	water	water		18.0	107	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	15
	Total formula weight	5522.3
All*	Total formula weight	115537.0

*Water molecules are not included.