4GTE

T. Maritima FDTS (E144R mutant) with FAD and Folate

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)	Thymidylate synthase thyX	polymer	232	27531.8	4	UniProt (Q9WYT0) Pfam (PF02511)	Thermotoga maritima	TS, TSase
2	E, F, H, I (A, B, C, D)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
3	G, J (B, D)	N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid	non-polymer		457.4	2	Chemie (MEF)
4	K, L, M, N (A, B, C, D)	water	water		18.0	162	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -11	-	expression tag
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
Arg 144	Glu 144	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	110127.0
Non-Polymers*	Number of molecules	6
	Total formula weight	4057.1
All*	Total formula weight	114184.1

*Water molecules are not included.