6ZXO

Crystal structure of His-tagged human thymidylate synthase (HT-hTS) in complex with FdUMP and Raltitrexed (Tomudex)

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, E (A, B, C, D, E)	Thymidylate synthase	polymer	325	37168.5	5	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
2	F (F)	Thymidylate synthase	polymer	325	37244.6	1	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
3	G, J, M, P, R... (A, B, C, D, E...)	TOMUDEX	non-polymer		458.5	6	Chemie (D16)
4	H, K, N, Q, S... (A, B, C, D, E...)	5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE	non-polymer		326.2	6	Chemie (UFP)
5	I, L, O (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6	AA, V, W, X, Y... (F, A, B, C, D...)	water	water		18.0	376	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 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

F: 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

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	223086.8
Non-Polymers*	Number of molecules	15
	Total formula weight	4894.2
All*	Total formula weight	227981.0

*Water molecules are not included.