4DV8

Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Lethal factor	polymer	526	61391.1	1	UniProt (P15917) Pfam (PF09156) Pfam (PF07737) In PDB	Bacillus anthracis (anthrax anthrax bacterium)	LF, Anthrax lethal toxin endopeptidase component
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	(2S)-6-[(4-fluorobenzyl)amino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide	non-polymer		406.5	1	Chemie (0LX)
4	A	MALONATE ION	non-polymer		102.0	1	Chemie (MLI)
5		water	water		18.0	706	Chemie (HOH)

Sequence modifications

A: 263 - 776 (UniProt: P15917)

PDB	External Database	Details
Met 251	-	expression tag
Arg 252	-	expression tag
Gly 253	-	expression tag
Ser 254	-	expression tag
His 255	-	expression tag
His 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag
His 259	-	expression tag
His 260	-	expression tag
Gly 261	-	expression tag
Ser 262	-	expression tag
Ser 266	Ala 299	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	61391.1
Non-Polymers*	Number of molecules	3
	Total formula weight	573.9
All*	Total formula weight	61965.0

*Water molecules are not included.