6TXA

Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg

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, E...	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	polymer	520	60207.8	16	UniProt (Q9Y3Z3) Pfam (PF01966) In PDB	Homo sapiens (Human)	dNTPase,Dendritic cell-derived IFNG-induced protein,DCIP,Monocyte protein 5,MOP-5,SAM domain and HD domain-containing protein 1,hSAMHD1
2	L, I, F, C, P...	FE (III) ION	non-polymer		55.8	16	Chemie (FE)
3	B, O, L, I, F...	MAGNESIUM ION	non-polymer		24.3	48	Chemie (MG)
4	E, B, O, L, C...	2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine	non-polymer		506.2	32	Chemie (XG4)
5	H, E, B, O, L...	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate	non-polymer		524.2	16	Chemie (CZF)
6	K, H, E, B, O...	SULFATE ION	non-polymer		96.1	15	Chemie (SO4)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P: 109 - 626 (UniProt: Q9Y3Z3)

PDB	External Database	Details
Gly 107	-	expression tag
Ser 108	-	expression tag
Asn 137	Asp 137	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	963325.1
Non-Polymers*	Number of molecules	127
	Total formula weight	28086.0
All*	Total formula weight	991411.1

*Water molecules are not included.