6DYZ

Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	S-methyl-5'-thioadenosine phosphorylase	polymer	297	33119.1	1	UniProt (Q13126) Pfam (PF01048)	Homo sapiens (Human)	5'-methylthioadenosine phosphorylase, MTAPase
2	B, C (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	D (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	E, F, G (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	H (A)	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol	non-polymer		317.4	1	Chemie (OS2)
6	I (A)	water	water		18.0	265	Chemie (HOH)

Sequence modifications

A: 1 - 283 (UniProt: Q13126)

PDB	External Database	Details
Met -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33119.1
Non-Polymers*	Number of molecules	7
	Total formula weight	669.5
All*	Total formula weight	33788.5

*Water molecules are not included.