5AO4

Crystal structure of in vitro phosphorylated human SAMHD1 (amino acid residues 115-626) bound to GTP

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 (A, B, C, D)	DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1	polymer	538	62274.1	4	UniProt (Q9Y3Z3) Pfam (PF01966)	HOMO SAPIENS (HUMAN)	DNTPASE, DENDRITIC CELL-DERIVED IFNG-INDUCED PROTEIN, DCIP, MONOCYTE PROTEIN 5, MOP-5, SAM DOMAIN AND HD DOMAIN-CONTAINING PR OTEIN 1, DNTPASE, DENDRITIC CELL-DERIVED IFNG-INDUCED PROTEIN, DCI P, MONOCYTE PROTEIN 5, MOP-5, SAM DOMAIN AND HD DOMAIN-CONTAINING PR OTEIN 1, SAMHD1
2	E, H, I, K (A, B, C, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
3	F, G, J, L (A, C, D)	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	4	Chemie (GTP)

Sequence modifications

A, B, C, D: 115 - 626 (UniProt: Q9Y3Z3)

PDB	External Database	Details
Met 89	-	expression tag
Ala 90	-	expression tag
Ser 91	-	expression tag
Trp 92	-	expression tag
Ser 93	-	expression tag
His 94	-	expression tag
Pro 95	-	expression tag
Gln 96	-	expression tag
Phe 97	-	expression tag
Glu 98	-	expression tag
Lys 99	-	expression tag
Gly 100	-	expression tag
Ala 101	-	expression tag
Leu 102	-	expression tag
Glu 103	-	expression tag
Val 104	-	expression tag
Leu 105	-	expression tag
Phe 106	-	expression tag
Gln 107	-	expression tag
Gly 108	-	expression tag
Pro 109	-	expression tag
Gly 110	-	expression tag
Tyr 111	-	expression tag
Gln 112	-	expression tag
Asp 113	-	expression tag
Pro 114	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	249096.6
Non-Polymers*	Number of molecules	8
	Total formula weight	2316.1
All*	Total formula weight	251412.7

*Water molecules are not included.