7K13

ACMSD in complex with diflunisal derivative 14

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
2	D, E, F (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	G (C)	2-hydroxy-5-(thiophen-3-yl)benzoic acid	non-polymer		220.2	1	Chemie (VR7)
4	H, I, J (A, B, C)	water	water		18.0	809	Chemie (HOH)

Sequence modifications

A, B, C: 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	3
	Total formula weight	119152.0
Non-Polymers*	Number of molecules	4
	Total formula weight	416.5
All*	Total formula weight	119568.5

*Water molecules are not included.