5CPO

Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mBu)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Xenobiotic reductase	polymer	371	40964.1	2	UniProt (Q9R9V9) Pfam (PF00724) In PDB	Pseudomonas putida	Xenobiotic reductase A
2	A, B	1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide	non-polymer		182.3	2	Chemie (XEN)
3	A, B	1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL	non-polymer		458.4	2	Chemie (FNR)
4	B	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5		water	water		18.0	694	Chemie (HOH)

Sequence modifications

A, B: 1 - 363 (UniProt: Q9R9V9)

PDB	External Database	Details
Arg 364	-	expression tag
Pro 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81928.2
Non-Polymers*	Number of molecules	5
	Total formula weight	1321.3
All*	Total formula weight	83249.5

*Water molecules are not included.