4WS6

Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Uracil-DNA glycosylase	polymer	238	25813.5	1	UniProt (P9WFQ9) Pfam (PF03167)	Mycobacterium tuberculosis	UDG
2	B (A)	5-AMINO-1H-PYRIMIDINE-2,4-DIONE	non-polymer		127.1	1	Chemie (WBU)
3	C, D (A)	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
4	E (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	F, G, H, I (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	4	Chemie (DMS)
6	J (A)	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA)
7	K, L (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	M (A)	water	water		18.0	361	Chemie (HOH)

Sequence modifications

A: 1 - 227 (UniProt: P9WFQ9)

PDB	External Database	Details
Met -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
Gly -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	25813.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1017.0
All*	Total formula weight	26830.5

*Water molecules are not included.