4KAR

Crystal structure of FDTS (TM0449) mutant (H53D) with FAD

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	polymer	232	27480.6	4	UniProt (Q9WYT0) Pfam (PF02511)	Thermotoga maritima MSB8	TS, TSase
2	E, F, G, H (A, B, C, D)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
3	I (D)	NONAETHYLENE GLYCOL	non-polymer		414.5	1	Chemie (2PE)
4	J, K, L, M (A, B, C, D)	water	water		18.0	150	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
Asp 53	His 53	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109922.5
Non-Polymers*	Number of molecules	5
	Total formula weight	3556.7
All*	Total formula weight	113479.2

*Water molecules are not included.