44CF

Crystal structure of D-apionate oxidoisomerase from Aureimonas altamirensis in complex with NAD+(H), Zn2+, Mn2+, and malonate

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)	NADP oxidoreductase coenzyme F420-dependent	polymer	286	31034.7	2	UniProt (A0ABY1INU2)	Aureimonas altamirensis
2	C, G (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, H (A, B)	MALONIC ACID	non-polymer		104.1	2	Chemie (MLA) PubChem (867)
4	E, I (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN) PubChem (32051)
5	F, J (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN) PubChem (27854)
6	K, L (A, B)	water	water		18.0	618	Chemie (HOH)

Sequence modifications

A, B: 2 - 275 (UniProt: A0ABY1INU2)

PDB	External Database	Details
Met -10	-	initiating methionine
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62069.4
Non-Polymers*	Number of molecules	8
	Total formula weight	1775.7
All*	Total formula weight	63845.0

*Water molecules are not included.