8AGS

Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BBB)	Alpha/beta epoxide hydrolase	polymer	299	34940.4	2	UniProt (A0A1U9WZ52)	metagenome
2	C, N (AAA, BBB)	2-CHLOROPHENOL	non-polymer		128.6	2	Chemie (2CH)
3	D, F, G, H, I... (AAA, BBB)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
4	E (AAA)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
5	K, L (AAA)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	M (BBB)	HEXAETHYLENE GLYCOL	non-polymer		282.3	1	Chemie (P6G)
7	R, S (AAA, BBB)	water	water		18.0	300	Chemie (HOH)

Sequence modifications

AAA, BBB: 1 - 293 (UniProt: A0A1U9WZ52)

PDB	External Database	Details
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69880.9
Non-Polymers*	Number of molecules	15
	Total formula weight	1319.1
All*	Total formula weight	71200.0

*Water molecules are not included.