6PF3

Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid

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	Thymidylate synthase	polymer	290	33189.1	4	UniProt (P04818) Pfam (PF00303) In PDB	Homo sapiens (Human)	TSase
2	A, B, C, D	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	4	Chemie (UMP)
3	A, B, C, D	2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid	non-polymer		437.8	4	Chemie (OE7)
4		water	water		18.0	42	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 313 (UniProt: P04818)

PDB	External Database	Details
-	Glu 7	deletion
-	Leu 8	deletion
-	Pro 9	deletion
-	Arg 10	deletion
-	Arg 11	deletion
-	Pro 12	deletion
-	Leu 13	deletion
-	Pro 14	deletion
-	Pro 15	deletion
-	Ala 16	deletion
-	Ala 17	deletion
-	Gln 18	deletion
-	Glu 19	deletion
-	Arg 20	deletion
-	Asp 21	deletion
-	Ala 22	deletion
-	Glu 23	deletion
-	Pro 24	deletion
-	Arg 25	deletion
-	Pro 26	deletion
-	Pro 27	deletion
-	His 28	deletion
-	Gly 29	deletion

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132756.3
Non-Polymers*	Number of molecules	8
	Total formula weight	2984.1
All*	Total formula weight	135740.4

*Water molecules are not included.