4O1U

Crystal structure of human thymidylate synthase mutant Y202C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Thymidylate synthase	polymer	325	37398.9	2	UniProt (P04818) Pfam (PF00303) In PDB	Homo sapiens (human)	TS, TSase
2	A, B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	A, B	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5		water	water		18.0	186	Chemie (HOH)

Sequence modifications

A, B: 1 - 313 (UniProt: P04818)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Cme 202	Tyr 202	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74797.9
Non-Polymers*	Number of molecules	13
	Total formula weight	931.0
All*	Total formula weight	75728.9

*Water molecules are not included.