8B6P

X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 154-156 (cpHaloTag7_154-156)

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	309	34272.9	2	UniProt (P0A3G3)	Rhodococcus sp.
2	C, D (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	E, F (A, B)	water	water		18.0	680	Chemie (HOH)

Sequence modifications

A, B: 2 - 139 (UniProt: P0A3G3)

PDB	External Database	Details
Gly -1	-	expression tag
Gly 0	-	expression tag
Gly 1	-	expression tag
Lys 6	Glu 160	conflict
Val 13	Ala 167	conflict
Thr 18	Ala 172	conflict
Met 21	Lys 175	conflict
Gly 22	Cys 176	conflict
Asn 41	Lys 195	conflict
Glu 70	Ala 224	conflict
Asp 73	Asn 227	conflict
Lys 103	Glu 257	conflict
Ala 110	Thr 264	conflict
Asn 118	His 272	conflict
Leu 119	Tyr 273	conflict
Ser 137	Pro 291	conflict
Thr 138	Ala 292	conflict

A, B: 157 - 307 (UniProt: P0A3G3)

PDB	External Database	Details
Glu 140	-	linker
Ile 141	-	linker
Gly 142	-	linker
Gly 143	-	linker
Thr 144	-	linker
Gly 145	-	linker
Gly 146	-	linker
Ser 147	-	linker
Gly 148	-	linker
Gly 149	-	linker
Thr 150	-	linker
Gly 151	-	linker
Gly 152	-	linker
Ser 153	-	linker
Gly 154	-	linker
Gly 155	-	linker
Ser 156	-	linker
Val 200	Leu 47	conflict
Thr 211	Ser 58	conflict
Gly 231	Asp 78	conflict
Phe 240	Tyr 87	conflict
Met 241	Leu 88	conflict
Phe 281	Cys 128	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68545.9
Non-Polymers*	Number of molecules	2
	Total formula weight	70.9
All*	Total formula weight	68616.8

*Water molecules are not included.