8W71

Structural basis of chorismate isomerization by Arabidopsis isochorismate synthase ICS1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Isochorismate synthase 1, chloroplastic	polymer	536	59225.8	2	UniProt (Q9S7H8) Pfam (PF00425) In PDB	Arabidopsis thaliana (thale cress)
2	A, B	(3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid	non-polymer		226.2	2	Chemie (ISJ)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	FORMIC ACID	non-polymer		46.0	2	Chemie (FMT)
5		water	water		18.0	768	Chemie (HOH)

Sequence modifications

A, B: 46 - 569 (UniProt: Q9S7H8)

PDB	External Database	Details
Met 44	-	initiating methionine
Asp 45	-	expression tag
Arg 316	Lys 316	engineered mutation
His 570	-	expression tag
His 571	-	expression tag
His 572	-	expression tag
His 573	-	expression tag
His 574	-	expression tag
His 575	-	expression tag
His 576	-	expression tag
His 577	-	expression tag
His 578	-	expression tag
His 579	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	118451.5
Non-Polymers*	Number of molecules	6
	Total formula weight	593.0
All*	Total formula weight	119044.5

*Water molecules are not included.