3TG2

Crystal structure of the ISC domain of VibB in complex with isochorismate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Vibriobactin-specific isochorismatase	polymer	223	24838.3	1	UniProt (P0C6D3) Pfam (PF00857) In PDB	Vibrio cholerae	2,3 dihydro-2,3 dihydroxybenzoate synthase, Isochorismate lyase-ArCP
2	A	(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	non-polymer		226.2	1	Chemie (ISC)
3	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
4		water	water		18.0	265	Chemie (HOH)

Sequence modifications

A: 1 - 215 (UniProt: P0C6D3)

PDB	External Database	Details
Asn 35	Asp 35	engineered mutation
Leu 216	-	expression tag
Glu 217	-	expression tag
His 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24838.3
Non-Polymers*	Number of molecules	2
	Total formula weight	376.4
All*	Total formula weight	25214.6

*Water molecules are not included.