7WAN

Crystal structure of HaloTag complexed with UL2

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	299	33716.4	1	UniProt (P0A3G3)	Rhodococcus sp.
2	B (A)	(R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol	non-polymer		384.5	1	Chemie (8MS)
3	C (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	D (A)	water	water		18.0	96	Chemie (HOH)

Sequence modifications

A: 1 - 292 (UniProt: P0A3G3)

PDB	External Database	Details
Ser -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 1	Ser 2	engineered mutation
Val 46	Leu 47	engineered mutation
Thr 57	Ser 58	engineered mutation
Gly 77	Asp 78	engineered mutation
Phe 86	Tyr 87	engineered mutation
Met 87	Leu 88	engineered mutation
Phe 127	Cys 128	engineered mutation
Thr 154	Ala 155	engineered mutation
Lys 159	Glu 160	engineered mutation
Val 166	Ala 167	engineered mutation
Thr 171	Ala 172	engineered mutation
Cys 174	Lys 175	engineered mutation
Gly 175	Cys 176	engineered mutation
Asn 194	Lys 195	engineered mutation
Glu 223	Ala 224	engineered mutation
Asp 226	Asn 227	engineered mutation
Lys 256	Glu 257	engineered mutation
Ala 263	Thr 264	engineered mutation
Asn 271	His 272	engineered mutation
Leu 272	Tyr 273	engineered mutation
Ser 290	Pro 291	engineered mutation
Thr 291	Ala 292	engineered mutation
Glu 293	-	expression tag
Ile 294	-	expression tag
Ser 295	-	expression tag
Gly 296	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33716.4
Non-Polymers*	Number of molecules	2
	Total formula weight	420.0
All*	Total formula weight	34136.4

*Water molecules are not included.