3HL8

Crystal structure of exonuclease I in complex with inhibitor BCBP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Exodeoxyribonuclease I	polymer	482	55510.6	1	UniProt (P04995) Pfam (PF00929) Pfam (PF08411) In PDB	Escherichia coli	Exonuclease I, DNA deoxyribophosphodiesterase, dRPase
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A	(5R)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1H-pyrazol-5-ol	non-polymer		309.8	1	Chemie (BBP)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6		water	water		18.0	492	Chemie (HOH)

Sequence modifications

A: 1 - 475 (UniProt: P04995)

PDB	External Database	Details
Asp 472	Glu 472	SEE REMARK 999
Glu 476	-	expression tag
His 477	-	expression tag
His 478	-	expression tag
His 479	-	expression tag
His 480	-	expression tag
His 481	-	expression tag
His 482	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	55510.6
Non-Polymers*	Number of molecules	7
	Total formula weight	676.6
All*	Total formula weight	56187.2

*Water molecules are not included.