4JIQ

Crystal structure of glycerol trinitrate reductase NerA from Agrobacterium radiobacter in complex with 1-nitro-2-phenylpropene

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	GTN Reductase	polymer	377	40568.0	1	UniProt (O31246) Pfam (PF00724) In PDB	Agrobacterium tumefaciens (Agrobacterium tumefaciens)
2	A	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
3	A	[(1E)-1-nitroprop-1-en-2-yl]benzene	non-polymer		163.2	1	Chemie (1L5)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
5		water	water		18.0	96	Chemie (HOH)

Sequence modifications

A: 1 - 371 (UniProt: O31246)

PDB	External Database	Details
His 372	-	expression tag
His 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
His 376	-	expression tag
His 377	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40568.0
Non-Polymers*	Number of molecules	4
	Total formula weight	775.8
All*	Total formula weight	41343.8

*Water molecules are not included.