1E9A

Human thymidylate kinase complexed with the bisubstrate inhibitor AZTP5A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	THYMIDYLATE KINASE	polymer	215	24052.5	1	UniProt (P23919) Pfam (PF02223) In PDB	HOMO SAPIENS (HUMAN)	DTMP KINASE
2	A	P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE	non-polymer		911.3	1	Chemie (Z5A)
3	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4		water	water		18.0	288	Chemie (HOH)

Sequence modifications

A: -3 - -1 (PDB: 1E9A)
A: 1 - 212 (UniProt: P23919)

PDB	External Database	Details
Ala 200	Arg 200	engineered mutation
Ser 183	Arg 183	conflict
Asp 190	Glu 190	conflict
Ile 184	Leu 184	conflict
Ile 191	Leu 191	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24052.5
Non-Polymers*	Number of molecules	3
	Total formula weight	959.9
All*	Total formula weight	25012.5

*Water molecules are not included.