6R30

Aspergillus niger ferulic acid decarboxylase (Fdc) L439G variant in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Ferulic acid decarboxylase 1	polymer	508	56279.8	1	UniProt (A0A3F3RNU4) Pfam (PF20695) Pfam (PF01977) Pfam (PF20696) UniProt (by SIFTS) (A2QHE5) In PDB	Aspergillus niger	Phenacrylate decarboxylase
2	A	prFMN cofactor and phenylpropiolic acid	non-polymer		671.6	1	Chemie (JQZ)
3	A	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN)
4	A	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5	A	phenylpropiolic acid	non-polymer		146.1	1	Chemie (JQ8)
6		water	water		18.0	731	Chemie (HOH)

Sequence modifications

A: 1 - 499 (UniProt: A0A3F3RNU4)

PDB	External Database	Details
Gly 439	Leu 439	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	56279.8
Non-Polymers*	Number of molecules	5
	Total formula weight	950.9
All*	Total formula weight	57230.7

*Water molecules are not included.