4RKX

Identification and characterization of a small molecule inhibitor of S. pyogenes SpeB.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Streptopain	polymer	261	28681.7	1	UniProt (E0PTS8) Pfam (PF01640) UniProt (by SIFTS) (A0A0M3KKW7) In PDB	Streptococcus pyogenes
2	A	NITRATE ION	non-polymer		62.0	1	Chemie (NO3)
3	A	benzyl (cyanomethyl)carbamate	non-polymer		190.2	1	Chemie (3S9)
4		water	water		18.0	206	Chemie (HOH)

Sequence modifications

A: 146 - 398 (UniProt: E0PTS8)

PDB	External Database	Details
Leu 399	-	expression tag
Glu 400	-	expression tag
His 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28681.7
Non-Polymers*	Number of molecules	2
	Total formula weight	252.2
All*	Total formula weight	28933.9

*Water molecules are not included.