4YU6

Crystal structure of Bacillus anthracis immune inhibitor A2 peptidase zymogen

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Immune inhibitor A, metalloprotease	polymer	756	83655.5	2	UniProt (D8H130)	Bacillus cereus var. anthracis (strain CI)
2	C, M (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, E, F, G, H... (A, B)	CALCIUM ION	non-polymer		40.1	9	Chemie (CA)
4	I, L (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	J, S, T (A, B)	ACETONITRILE	non-polymer		41.1	3	Chemie (CCN)
6	K, R (A, B)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
7	U, V (A, B)	water	water		18.0	168	Chemie (HOH)

Sequence modifications

A, B: 50 - 799 (UniProt: D8H130)

PDB	External Database	Details
His 275	Tyr 275	conflict
Ala 380	Glu 380	engineered mutation
Leu 630	Val 630	conflict
Asn 746	Lys 746	conflict
Lys 776	Asn 776	conflict
His 901	-	expression tag
His 902	-	expression tag
His 903	-	expression tag
His 904	-	expression tag
His 905	-	expression tag
His 906	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	167311.1
Non-Polymers*	Number of molecules	18
	Total formula weight	738.9
All*	Total formula weight	168049.9

*Water molecules are not included.