4R3W

Crystal Structure Analysis of the 1,2,3-tricarboxylate benzoic acid bound to sp-ASADH-2'5'-ADP complex

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	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
3	A	benzene-1,2,3-tricarboxylic acid	non-polymer		210.1	1	Chemie (3GQ)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
5	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	A, B	ADENOSINE-2'-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (A2P)
7		water	water		18.0	180	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	14
	Total formula weight	1627.0
All*	Total formula weight	81704.1

*Water molecules are not included.