2KCE

BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI THYMIDYLATE SYNTHASE: ASSESSING SPECIFICITY AND AFFINITY

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	THYMIDYLATE SYNTHASE	polymer	264	30515.7	2	UniProt (P0A884) Pfam (PF00303)	Escherichia coli
2	C, E (A, B)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	2	Chemie (UMP) PubChem (92449733) PubChem (133126534) PubChem (688) PubChem (446900) PubChem (65063) PubChem (446899) PubChem (71773959) PubChem (92144438) PubChem (92209480) PubChem (92209481) PubChem (92209482) PubChem (57164254)
3	D, F (A, B)	TOMUDEX	non-polymer		458.5	2	Chemie (D16)
4	G, H (A, B)	water	water		18.0	245	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61031.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1533.3
All*	Total formula weight	62564.6

*Water molecules are not included.