6DZ2

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-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)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, B, C (A, B, C)	S-methyl-5'-thioadenosine phosphorylase	polymer	297	33119.1	3	UniProt (Q13126) Pfam (PF01048)	Homo sapiens (Human)	5'-methylthioadenosine phosphorylase, MTAPase
2	D, E, F, K, N... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
3	G, H, L, T (A, B, C)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	I (A)	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
5	J, M, U (A, B, C)	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol	non-polymer		478.6	3	Chemie (OS5)
6	V, W, X (A, B, C)	water	water		18.0	265	Chemie (HOH)

Sequence modifications

A, B, C: 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	3
	Total formula weight	99357.2
Non-Polymers*	Number of molecules	18
	Total formula weight	2258.4
All*	Total formula weight	101615.5

*Water molecules are not included.