5AO1

Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP

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	491	56884.1	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 PROTEIN 1, SAMHD1
2	E, J, O, S (A, B, C, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
3	F, H, K, L, P... (A, B, C, D)	2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE	non-polymer		491.2	8	Chemie (DG3)
4	G, M, V, W (A, B, D)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	I, N, R, X (B, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	170	Chemie (HOH)

Sequence modifications

A, B, C, D: 115 - 583 (UniProt: Q9Y3Z3)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	227536.4
Non-Polymers*	Number of molecules	20
	Total formula weight	4634.3
All*	Total formula weight	232170.7

*Water molecules are not included.