6R3F

Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid (Int2)

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	56335.0	1	UniProt (A2QHE5) Pfam (PF20695) Pfam (PF01977) Pfam (PF20696) In PDB	Aspergillus niger	Phenacrylate decarboxylase
2	A	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN)
3	A	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
4	A	[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate	non-polymer		630.6	1	Chemie (JQK)
5		water	water		18.0	441	Chemie (HOH)

Sequence modifications

A: 1 - 499 (UniProt: A2QHE5)

PDB	External Database	Details
Gln 282	Glu 282	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	56335.0
Non-Polymers*	Number of molecules	4
	Total formula weight	763.8
All*	Total formula weight	57098.7

*Water molecules are not included.