8AES

Crystal structure of a thermophilic O6-alkylguanine-DNA alkyltransferase-derived self-labeling protein-tag

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Methylated-DNA--protein-cysteine methyltransferase	polymer	168	19049.2	10	UniProt (Q97VW7) Pfam (PF02870) Pfam (PF01035)	Saccharolobus solfataricus	6-O-methylguanine-DNA methyltransferase,MGMT,O-6-methylguanine-DNA-alkyltransferase
2	K, L, M, N, O... (A, B, C, D, E...)	water	water		18.0	51	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J: 1 - 151 (UniProt: Q97VW7)

PDB	External Database	Details
Met -10	-	initiating methionine
Ala -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
Asn 105	Gly 105	engineered mutation
Thr 106	Met 106	engineered mutation
Asp 109	Ser 109	engineered mutation
Glu 110	Lys 110	engineered mutation
Pro 130	Gly 130	engineered mutation
Leu 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	10
	Total formula weight	190491.8
All*	Total formula weight	190491.8

*Water molecules are not included.