6GA0

Crystal structure of a thermophilic O6-alkylguanine-DNA alkyltransferase-derived self-labeling protein-tag in covalent complex with SNAP-Vista Green

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Methylated-DNA--protein-cysteine methyltransferase	polymer	170	19242.4	1	UniProt (Q97VW7) Pfam (PF02870) Pfam (PF01035)	Sulfolobus solfataricus P2	6-O-methylguanine-DNA methyltransferase,MGMT,O-6-methylguanine-DNA-alkyltransferase
2	B (A)	5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid	non-polymer		479.5	1	Chemie (ETW)
3	C, D (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E (A)	water	water		18.0	95	Chemie (HOH)

Sequence modifications

A: 1 - 151 (UniProt: Q97VW7)

PDB	External Database	Details
Met -12	-	initiating methionine
Arg -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Thr -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag
Ala 100	Ser 100	engineered mutation
Ala 102	Arg 102	engineered mutation
Lys 105	Gly 105	engineered mutation
Thr 106	Met 106	engineered mutation
Glu 110	Lys 110	engineered mutation
Glu 132	Ser 132	engineered mutation
Leu 152	-	expression tag
Gln 153	-	expression tag
Val 154	-	expression tag
Pro 155	-	expression tag
Ser 156	-	expression tag
Thr 157	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19242.4
Non-Polymers*	Number of molecules	3
	Total formula weight	671.6
All*	Total formula weight	19914.0

*Water molecules are not included.