4AB4

Structure of Xenobiotic Reductase B from Pseudomonas putida in complex with TNT

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)	XENOBIOTIC REDUCTASE B	polymer	362	39374.1	2	UniProt (Q88PD0) Pfam (PF00724)	PSEUDOMONAS PUTIDA KT2440
2	C, J (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
3	D, E, K (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	F, G, H (A)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	I, M (A, B)	2,4,6-TRINITROTOLUENE	non-polymer		227.1	2	Chemie (TNL)
6	L (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	N, O (A, B)	water	water		18.0	824	Chemie (HOH)

Sequence modifications

A, B: 1 - 349 (UniProt: Q88PD0)

PDB	External Database	Details
Lys 350	-	expression tag
Leu 351	-	expression tag
Ala 352	-	expression tag
Ala 353	-	expression tag
Ala 354	-	expression tag
Leu 355	-	expression tag
Glu 356	-	expression tag
His 357	-	expression tag
His 358	-	expression tag
His 359	-	expression tag
His 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78748.3
Non-Polymers*	Number of molecules	11
	Total formula weight	1993.5
All*	Total formula weight	80741.8

*Water molecules are not included.