4DI8

CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 8.5

Replaces:  4D95

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	2-pyrone-4,6-dicarbaxylate hydrolase	polymer	303	33986.8	2	UniProt (O87170) Pfam (PF04909) In PDB	Sphingomonas paucimobilis	2-pyrone-4,6-dicarboxylic acid hydrolase
2	A, B	2-oxo-2H-pyran-4,6-dicarboxylic acid	non-polymer		184.1	2	Chemie (0GZ)
3	A, B	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
4	A, B	(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid	non-polymer		202.1	2	Chemie (0GY)
5	B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6		water	water		18.0	675	Chemie (HOH)

Sequence modifications

A, B: 4 - 295 (UniProt: O87170)

PDB	External Database	Details
Met 1	-	expression tag
Ser 2	-	expression tag
Leu 3	-	expression tag
Ala 248	Asp 246	engineered mutation
Glu 296	-	expression tag
Gly 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag
His 303	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67973.5
Non-Polymers*	Number of molecules	8
	Total formula weight	939.1
All*	Total formula weight	68912.7

*Water molecules are not included.