4TNZ

Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dTTP complex

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 (C, A, D, B)	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	polymer	514	59604.2	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
2	E, L, Q, V (C, A, D, B)	THYMIDINE-5'-TRIPHOSPHATE	non-polymer		482.2	4	Chemie (TTP)
3	F, I, K, M, O... (C, A, D, B)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG) PubChem (888)
4	G, N, S, X (C, A, D, B)	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	4	Chemie (GTP) PubChem (177679032) PubChem (135400627) PubChem (135487750) PubChem (136088935) PubChem (136803486) PubChem (135398633) PubChem (135544356) PubChem (135547949) PubChem (135600366) PubChem (135749822) PubChem (136005188) PubChem (136073923) PubChem (136240914) PubChem (136664747) PubChem (136772743) PubChem (136772744) PubChem (136803487) PubChem (137286749) PubChem (164715984) PubChem (171699466)
5	H, J, T, U (C, A, D, B)	2'-DEOXYADENOSINE 5'-TRIPHOSPHATE	non-polymer		491.2	4	Chemie (DTP) PubChem (44119995) PubChem (46936612) PubChem (57233913) PubChem (89346292) PubChem (622) PubChem (15993) PubChem (91632917) PubChem (92341128) PubChem (92449119) PubChem (92449120) PubChem (448808) PubChem (129069956) PubChem (171699368)
6	AA, BA, Y, Z (D, B, C, A)	water	water		18.0	147	Chemie (HOH)

Sequence modifications

C, A, D, B: 113 - 626 (UniProt: Q9Y3Z3)

PDB	External Database	Details
Arg 206	His 206	engineered mutation
Asn 207	Asp 207	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	238416.7
Non-Polymers*	Number of molecules	20
	Total formula weight	6180.6
All*	Total formula weight	244597.2

*Water molecules are not included.