5F76

Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in complex with Methylthioadenosine

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 (A, B, C)	Methylthioadenosine phosphorylase	polymer	320	35273.5	3	UniProt (I0B503) Pfam (PF01048)	Schistosoma mansoni (Blood fluke)
2	D, F, H (A, B, C)	5'-DEOXY-5'-METHYLTHIOADENOSINE	non-polymer		297.3	3	Chemie (MTA) PubChem (149) PubChem (439176) PubChem (688097) PubChem (6541356) PubChem (13101165) PubChem (13101166) PubChem (25322898) PubChem (40467850) PubChem (44264468) PubChem (46874793) PubChem (51397472) PubChem (99302) PubChem (51397471) PubChem (453683) PubChem (98100246) PubChem (57104771) PubChem (58108938) PubChem (58682801) PubChem (59099797) PubChem (91614589) PubChem (124300729) PubChem (124300795) PubChem (134694842) PubChem (138107656) PubChem (164077596)
3	E, G, I (A, B, C)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	J, K, L (A, B, C)	water	water		18.0	742	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 299 (UniProt: I0B503)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Thr 12	Ser 12	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	105820.5
Non-Polymers*	Number of molecules	6
	Total formula weight	1180.2
All*	Total formula weight	107000.7

*Water molecules are not included.