8ZK8

Crystal structure of the Decarboxylase KDC4427 mutant E468L in complex with indole-3-pyruvic acid

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)	Indolepyruvate decarboxylase	polymer	566	61941.4	2	UniProt (A0A2U3EYQ2) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775)	Enterobacter sp. CGMCC 5087	KDC4427
2	C, F (A, B)	THIAMINE DIPHOSPHATE	non-polymer		425.3	2	Chemie (TPP)
3	D, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, H (A, B)	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	non-polymer		203.2	2	Chemie (3IO)
5	I, J (A, B)	water	water		18.0	451	Chemie (HOH)

Sequence modifications

A, B: 1 - 552 (UniProt: A0A2U3EYQ2)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Gln -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag
Leu 468	Glu 468	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	123882.7
Non-Polymers*	Number of molecules	6
	Total formula weight	1305.6
All*	Total formula weight	125188.4

*Water molecules are not included.