6TIC

Structure of A. niger Fdc I327S variant in complex with benzothiophene 2 carboxylic acid

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	AAA	Ferulic acid decarboxylase 1	polymer	508	56309.9	1	UniProt (A0A3F3RNU4) Pfam (PF20695) Pfam (PF01977) Pfam (PF20696) In PDB	Aspergillus niger	Phenacrylate decarboxylase
2	AAA	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN)
3	AAA	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
4	AAA	hydroxylated prenyl-FMN	non-polymer		542.5	1	Chemie (BYN)
5	AAA	benzothiophene 2 carboxylic acid	non-polymer		178.2	1	Chemie (ND8)
6		water	water		18.0	551	Chemie (HOH)

Sequence modifications

AAA: 1 - 499 (UniProt: A0A3F3RNU4)

PDB	External Database	Details
Ser 327	Ile 327	engineered mutation
Leu 499	-	expression tag
Glu 499	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56309.9
Non-Polymers*	Number of molecules	5
	Total formula weight	853.8
All*	Total formula weight	57163.7

*Water molecules are not included.