4O1X

Crystal structure of human thymidylate synthase double mutant C195S-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, C (A, B, C)	Thymidylate synthase	polymer	325	37290.7	3	UniProt (P04818) Pfam (PF00303)	Homo sapiens (human)	TS, TSase
2	D (D)	Thymidylate synthase	polymer	325	37336.8	1	UniProt (P04818) Pfam (PF00303)	Homo sapiens (human)	TS, TSase
3	E, K, L, M, O... (A, B, C, D)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	F, G, H (A)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	I, J, N, Q, T (A, B, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
6	U, V, W, X (A, B, C, D)	water	water		18.0	250	Chemie (HOH)

Sequence modifications

A, B, C: 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
Ser 195	Cys 195	engineered mutation
Cme 202	Tyr 202	engineered mutation

D: 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
Ser 195	Cys 195	engineered mutation
Cme 202	Tyr 202	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	149208.8
Non-Polymers*	Number of molecules	16
	Total formula weight	1185.2
All*	Total formula weight	150394.0

*Water molecules are not included.