5M4Z

Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate

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	320	37240.4	2	UniProt (Q9NDD3) Pfam (PF00303) In PDB	Trichinella spiralis (Trichina worm)
2	A, B	[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate	non-polymer		325.2	2	Chemie (7K8)
3	A, B	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
4		water	water		18.0	291	Chemie (HOH)

Sequence modifications

A, B: 18 - 307 (UniProt: Q9NDD3)

PDB	External Database	Details
Met -12	-	initiating methionine
Lys -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Met -3	-	expression tag
His -2	-	expression tag
Ala -1	-	expression tag
Gln 0	-	expression tag
Met 1	-	expression tag
Thr 2	-	expression tag
Glu 3	-	expression tag
Thr 4	-	expression tag
Val 5	-	expression tag
His 6	-	expression tag
Lys 7	-	expression tag
Leu 8	-	expression tag
Asp 9	-	expression tag
Thr 10	-	expression tag
Asn 11	-	expression tag
Ser 12	-	expression tag
Thr 13	-	expression tag
Ser 14	-	expression tag
Gln 15	-	expression tag
Asp 16	-	expression tag
Asp 17	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74480.7
Non-Polymers*	Number of molecules	7
	Total formula weight	1110.9
All*	Total formula weight	75591.6

*Water molecules are not included.