7B73

Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Short-chain dehydrogenase/reductase SDR	polymer	243	26208.0	4	UniProt (Q1YQT8) Pfam (PF13561)	gamma proteobacterium HTCC2207
2	E, F, I, J (A, B, C, D)	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	non-polymer		207.3	4	Chemie (NHE)
3	G, H (B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	K, L, M, N (A, B, C, D)	water	water		18.0	702	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 226 (UniProt: Q1YQT8)

PDB	External Database	Details
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	104832.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1013.3
All*	Total formula weight	105845.5

*Water molecules are not included.