6QYQ

Crystal structure of human thymidylate synthase (hTS) variant R175C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Thymidylate synthase	polymer	325	37252.6	1	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
2	B (C)	Thymidylate synthase	polymer	325	37298.6	1	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
3	C (B)	Thymidylate synthase	polymer	325	37298.7	1	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
4	D (D)	Thymidylate synthase	polymer	325	37252.6	1	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
5	E, F, G, I, L... (A, C, B, D)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
6	H, J, K, N (A, C, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
7	M, P (B, D)	N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid	non-polymer		473.4	2	Chemie (FFO)
8	Q, R, S, T (A, C, B, D)	water	water		18.0	474	Chemie (HOH)

Sequence modifications

A: 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
Cys 175	Arg 175	engineered mutation

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
Cys 175	Arg 175	engineered mutation

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
Cys 175	Arg 175	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
Cys 175	Arg 175	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	149102.6
Non-Polymers*	Number of molecules	12
	Total formula weight	1665.1
All*	Total formula weight	150767.6

*Water molecules are not included.