4FWB

Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 in complex with 1, 2, 3 - trichloropropane

Replaces:  3RLT

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Haloalkane dehalogenase	polymer	292	33337.0	1	UniProt (P0A3G2) Pfam (PF00561)	Rhodococcus rhodochrous
2	B (A)	1,2,3-trichloropropane	non-polymer		147.4	1	Chemie (3KP)
3	C, D, E, F (A)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	G (A)	water	water		18.0	353	Chemie (HOH)

Sequence modifications

A: 4 - 293 (UniProt: P0A3G2)

PDB	External Database	Details
Phe 135	Ile 135	engineered mutation
Tyr 176	Cys 176	engineered mutation
Phe 245	Val 245	engineered mutation
Ile 246	Leu 246	engineered mutation
Phe 273	Tyr 273	engineered mutation
His 294	-	expression tag
His 295	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33337.0
Non-Polymers*	Number of molecules	5
	Total formula weight	289.2
All*	Total formula weight	33626.2

*Water molecules are not included.