8B6O

X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Haloalkane dehalogenase	polymer	323	35720.7	1	UniProt (P0A3G3) Pfam (PF00561) In PDB	Rhodococcus sp.
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3		water	water		18.0	47	Chemie (HOH)

Sequence modifications

A: 31 - 168 (UniProt: P0A3G3)

PDB	External Database	Details
Gly 1	-	expression tag
Met 2	-	expression tag
Val 3	-	expression tag
Asp 4	-	expression tag
Ser 5	-	expression tag
Ser 6	-	expression tag
Arg 7	-	expression tag
Arg 8	-	expression tag
Lys 9	-	expression tag
Trp 10	-	expression tag
Asn 11	-	expression tag
Lys 12	-	expression tag
Thr 13	-	expression tag
Gly 14	-	expression tag
His 15	-	expression tag
Ala 16	-	expression tag
Val 17	-	expression tag
Arg 18	-	expression tag
Ala 19	-	expression tag
Ile 20	-	expression tag
Gly 21	-	expression tag
Arg 22	-	expression tag
Leu 23	-	expression tag
Ser 24	-	expression tag
Ser 25	-	expression tag
Leu 26	-	expression tag
Glu 27	-	expression tag
Gly 28	-	expression tag
Gly 29	-	expression tag
Ser 30	-	expression tag
Lys 35	Glu 160	conflict
Val 42	Ala 167	conflict
Thr 47	Ala 172	conflict
Met 50	Lys 175	conflict
Gly 51	Cys 176	conflict
Asn 70	Lys 195	conflict
Glu 99	Ala 224	conflict
Asp 102	Asn 227	conflict
Lys 132	Glu 257	conflict
Ala 139	Thr 264	conflict
Asn 147	His 272	conflict
Leu 148	Tyr 273	conflict
Ser 166	Pro 291	conflict
Thr 167	Ala 292	conflict

A: 186 - 323 (UniProt: P0A3G3)

PDB	External Database	Details
Glu 169	-	linker
Ile 170	-	linker
Gly 171	-	linker
Gly 172	-	linker
Thr 173	-	linker
Gly 174	-	linker
Gly 175	-	linker
Ser 176	-	linker
Gly 177	-	linker
Gly 178	-	linker
Thr 179	-	linker
Gly 180	-	linker
Gly 181	-	linker
Ser 182	-	linker
Gly 183	-	linker
Gly 184	-	linker
Ser 185	-	linker
Val 229	Leu 47	conflict
Thr 240	Ser 58	conflict
Gly 260	Asp 78	conflict
Phe 269	Tyr 87	conflict
Met 270	Leu 88	conflict
Phe 310	Cys 128	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35720.7
Non-Polymers*	Number of molecules	1
	Total formula weight	35.5
All*	Total formula weight	35756.1

*Water molecules are not included.