4R4J

Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Aspartate-semialdehyde dehydrogenase	polymer	366	40038.5	2	UniProt (A5MTN0) In PDB	Streptococcus pneumoniae	ASA dehydrogenase, ASADH, Aspartate-beta-semialdehyde dehydrogenase
2	A, B	3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid	non-polymer		252.2	2	Chemie (3JL)
3	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	3	Chemie (NAP)
4	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
6		water	water		18.0	470	Chemie (HOH)

Sequence modifications

A, B: 1 - 358 (UniProt: A5MTN0)

PDB	External Database	Details
Leu 359	-	expression tag
Glu 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag
His 363	-	expression tag
His 364	-	expression tag
His 365	-	expression tag
His 366	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	80077.0
Non-Polymers*	Number of molecules	13
	Total formula weight	3153.0
All*	Total formula weight	83230.1

*Water molecules are not included.