8B6S

X-ray structure of the haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG1) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Green fluorescent protein,Haloalkane dehalogenase	polymer	531	59991.0	2	UniProt (P42212) UniProt (P0A3G3) Pfam (PF01353) Pfam (PF00561) In PDB	Rhodococcus sp.
2	A, B	[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium	non-polymer		637.2	2	Chemie (OEH)
3	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5		water	water		18.0	460	Chemie (HOH)

Sequence modifications

A, B: 2 - 237 (UniProt: P42212)

PDB	External Database	Details
Gly 1	-	expression tag
Leu 63	Tyr 66	conflict
Cro 64	Gly 67	conflict
Leu 230	His 231	conflict

A, B: 238 - 527 (UniProt: P0A3G3)

PDB	External Database	Details
Val 281	Leu 47	conflict
Thr 292	Ser 58	conflict
Gly 312	Asp 78	conflict
Phe 321	Tyr 87	conflict
Met 322	Leu 88	conflict
Phe 362	Cys 128	conflict
Thr 389	Ala 155	conflict
Lys 394	Glu 160	conflict
Val 401	Ala 167	conflict
Thr 406	Ala 172	conflict
Met 409	Lys 175	conflict
Gly 410	Cys 176	conflict
Asn 429	Lys 195	conflict
Glu 458	Ala 224	conflict
Asp 461	Asn 227	conflict
Lys 491	Glu 257	conflict
Ala 498	Thr 264	conflict
Asn 506	His 272	conflict
Leu 507	Tyr 273	conflict
Ser 525	Pro 291	conflict
Thr 526	Ala 292	conflict
Glu 528	-	expression tag
Ile 529	-	expression tag
Ser 530	-	expression tag
Gly 531	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119982.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1529.5
All*	Total formula weight	121511.4

*Water molecules are not included.