4KAC

X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150.

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	306	34985.6	2	UniProt (P0A3G3) Pfam (PF00561)	Rhodococcus sp.
2	C, E (A, B)	N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine	non-polymer		247.3	2	Chemie (1Q9)
3	D (B)	AMMONIUM ION	non-polymer		18.0	1	Chemie (NH4)
4	F (B)	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL	non-polymer		354.4	1	Chemie (PE4)
5	G, H (A, B)	water	water		18.0	274	Chemie (HOH)

Sequence modifications

A, B: 13 - 304 (UniProt: P0A3G3)

PDB	External Database	Details
Mse 1	-	expression tag
Gly 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
Ser 9	-	expression tag
His 10	-	expression tag
Mse 11	-	expression tag
Gly 12	-	expression tag
Mse 186	Lys 175	engineered mutation
Gly 187	Cys 176	engineered mutation
Phe 283	His 272	engineered mutation
Leu 284	Tyr 273	engineered mutation
Gly 303	Ala 292	engineered mutation
Ala 305	-	expression tag
Gly 306	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69971.2
Non-Polymers*	Number of molecules	4
	Total formula weight	867.1
All*	Total formula weight	70838.2

*Water molecules are not included.