3BGD

Thiopurine S-Methyltransferase

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)	Thiopurine S-methyltransferase	polymer	260	29796.1	2	UniProt (O55060) Pfam (PF05724)	Mus musculus (Mouse)	Thiopurine methyltransferase
2	C, F (A, B)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH) PubChem (16760024) PubChem (193) PubChem (25210495) PubChem (13792) PubChem (177678424) PubChem (44361184) PubChem (21125603) PubChem (46936206) PubChem (50989525) PubChem (25203782) PubChem (51380914) PubChem (52224398) PubChem (189149) PubChem (57544532) PubChem (439155) PubChem (59046843) PubChem (59170628) PubChem (59576228) PubChem (66805708) PubChem (70689219) PubChem (70702054) PubChem (70832431) PubChem (52224400) PubChem (5284331) PubChem (6419189) PubChem (118374891) PubChem (118560068) PubChem (71170554) PubChem (13231890) PubChem (164157219) PubChem (126969526) PubChem (129105892) PubChem (143518505) PubChem (154578335) PubChem (163054214) PubChem (163335525)
3	D, E, G, H (A, B)	9H-purine-6-thiol	non-polymer		152.2	4	Chemie (PM6)
4	I, J (A, B)	water	water		18.0	307	Chemie (HOH)

Sequence modifications

A, B: 1 - 240 (UniProt: O55060)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59592.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1377.5
All*	Total formula weight	60969.7

*Water molecules are not included.