5IOS

Flavin-dependent thymidylate synthase R90A variant in complex with FAD and deoxyuridine monophosphate

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	27417.6	4	UniProt (Q9WYT0) Pfam (PF02511)	Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)	TSase
2	E, H, I, K (A, B, C, D)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
3	F, G, J, L (A, C, D)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	4	Chemie (UMP)
4	M, N, O, P (A, B, C, D)	water	water		18.0	130	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
Ala 90	Arg 90	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109670.3
Non-Polymers*	Number of molecules	8
	Total formula weight	4374.9
All*	Total formula weight	114045.2

*Water molecules are not included.