7K12

ACMSD in complex with diflunisal

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	2-amino-3-carboxymuconate 6-semialdehyde decarboxylase	polymer	355	39717.3	2	UniProt (Q83V25)	Pseudomonas fluorescens
2	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	D (A)	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID	non-polymer		250.2	1	Chemie (1FL)
4	E, F (A, B)	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
5	G, H (A, B)	water	water		18.0	421	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -20	-	expression tag
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	2
	Total formula weight	79434.7
Non-Polymers*	Number of molecules	4
	Total formula weight	699.9
All*	Total formula weight	80134.5

*Water molecules are not included.