1S20

A novel NAD binding protein revealed by the crystal structure of E. Coli 2,3-diketogulonate reductase (YiaK) NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Hypothetical oxidoreductase yiaK	polymer	340	38385.2	8	UniProt (P37672) Pfam (PF02615) In PDB	Escherichia coli
2	A, B, D, F, G...	L(+)-TARTARIC ACID	non-polymer		150.1	6	Chemie (TLA)
3	A, B, D, F, G...	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	6	Chemie (NAD)
4		water	water		18.0	1401	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 332 (UniProt: P37672)

PDB	External Database	Details
Mse 1	Met 1	modified residue
Mse 32	Met 32	modified residue
Mse 93	Met 93	modified residue
Mse 94	Met 94	modified residue
Mse 118	Met 118	modified residue
Mse 144	Met 144	modified residue
Mse 170	Met 170	modified residue
Mse 173	Met 173	modified residue
Mse 175	Met 175	modified residue
Mse 177	Met 177	modified residue
Mse 182	Met 182	modified residue
Mse 221	Met 221	modified residue
Mse 229	Met 229	modified residue
Mse 235	Met 235	modified residue
Mse 285	Met 285	modified residue
Leu 333	-	cloning artifact
Glu 334	-	cloning artifact
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	307081.7
Non-Polymers*	Number of molecules	12
	Total formula weight	4881.1
All*	Total formula weight	311962.7

*Water molecules are not included.