8YT1

Crystal structure of ACMSD in complex with 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, C (A, B, C)	2-amino-3-carboxymuconate 6-semialdehyde decarboxylase	polymer	355	39717.3	3	UniProt (Q83V25) Pfam (PF04909)	Pseudomonas fluorescens	Alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase, ACMSD
2	D, F, G (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	E (A)	MALONIC ACID	non-polymer		104.1	1	Chemie (MLA)
4	H, I, J (A, B, C)	water	water		18.0	231	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 334 (UniProt: Q83V25)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	119152.0
Non-Polymers*	Number of molecules	4
	Total formula weight	300.3
All*	Total formula weight	119452.3

*Water molecules are not included.