4FZB

Structure of thymidylate synthase ThyX complexed to a new inhibitor

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...	Probable thymidylate synthase	polymer	227	26212.8	16	UniProt (O41156) Pfam (PF02511) In PDB	Paramecium bursaria Chlorella virus 1 (PBCV-1)	TS, TSase
2	N, E, O, F, P...	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	16	Chemie (FAD)
3	D, M, N, E, O...	2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione	non-polymer		294.3	16	Chemie (0VJ)
4	D, E, O, F, P...	DIMETHYL SULFOXIDE	non-polymer		78.1	13	Chemie (DMS)
5		water	water		18.0	92	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P: 2 - 216 (UniProt: O41156)

PDB	External Database	Details
Met -4	-	expression tag
Ala -3	-	expression tag
Ser -2	-	expression tag
Met -1	-	expression tag
Thr 0	-	expression tag
Gly 1	-	expression tag
His 217	-	expression tag
His 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	419404.0
Non-Polymers*	Number of molecules	45
	Total formula weight	18293.3
All*	Total formula weight	437697.4

*Water molecules are not included.