5CPL

The crystal structure of Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with a nicotinamide mimic (mNH2)

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-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide	non-polymer		216.3	2	Chemie (536)
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	797	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	1389.4
All*	Total formula weight	83317.5

*Water molecules are not included.