9B02

nnhA C357A catalytic mutant in tris buffer

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	2-nitroimidazole nitrohydrolase	polymer	386	43100.4	1	UniProt (F4ZCI3) Pfam (PF02274)	Mycobacterium sp. JS330	2NI nitrohydrolase
2	B (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	C (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	D (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	G (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
7	H (A)	water	water		18.0	366	Chemie (HOH)

Sequence modifications

A: 1 - 379 (UniProt: F4ZCI3)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ile 2	Thr 2	engineered mutation
Asp 14	Gly 14	engineered mutation
Arg 73	Lys 73	engineered mutation
Ala 357	Cys 357	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43100.4
Non-Polymers*	Number of molecules	6
	Total formula weight	352.8
All*	Total formula weight	43453.2

*Water molecules are not included.