6SP8

Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure

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)	Haloalkane dehalogenase	polymer	291	33400.2	2	UniProt (P0A3G2)	Rhodococcus rhodochrous
2	AA, BA, C, CA, D... (B, A)	KRYPTON	non-polymer		83.8	21	Chemie (KR)
3	DA, EA, FA, O, P... (B, A)	THIOCYANATE ION	non-polymer		58.1	6	Chemie (SCN)
4	GA, R (B, A)	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	2	Chemie (B3P)
5	HA, IA, JA, KA, LA... (B, A)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
6	NA, OA (A, B)	water	water		18.0	617	Chemie (HOH)

Sequence modifications

A, B: 3 - 293 (UniProt: P0A3G2)

PDB	External Database	Details
Ser 20	Glu 20	engineered mutation
Arg 80	Phe 80	engineered mutation
Phe 128	Cys 128	engineered mutation
Leu 148	Thr 148	engineered mutation
Pro 155	Ala 155	engineered mutation
Ile 172	Ala 172	engineered mutation
Phe 176	Cys 176	engineered mutation
Trp 198	Asp 198	engineered mutation
Trp 219	Val 219	engineered mutation
Leu 262	Cys 262	engineered mutation
Phe 266	Asp 266	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66800.5
Non-Polymers*	Number of molecules	37
	Total formula weight	3409.7
All*	Total formula weight	70210.2

*Water molecules are not included.