4KAS

Crystal structure of FDTS from T. maritima mutant (H53D) with FAD and 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)	Thymidylate synthase ThyX	polymer	232	27480.6	4	UniProt (Q9WYT0) Pfam (PF02511)	Thermotoga maritima	TS, TSase
2	E, G, J (A, B, C)	2'-DEOXYURIDINE-5'-MONOPHOSPHATE	non-polymer		308.2	3	Chemie (DU)
3	F, H (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	I, L (C, D)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
5	K (C)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	M (D)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	N (D)	NONAETHYLENE GLYCOL	non-polymer		414.5	1	Chemie (2PE)
8	O, P, Q, R (A, B, C, D)	water	water		18.0	305	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	10
	Total formula weight	3232.7
All*	Total formula weight	113155.2

*Water molecules are not included.