4RXQ

The structure of GTP-dUTP-bound SAMHD1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	polymer	539	62486.2	2	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
2	A	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	2	Chemie (GTP)
3	A, B	DEOXYURIDINE-5'-TRIPHOSPHATE	non-polymer		468.1	4	Chemie (DUT)
4	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5		water	water		18.0	518	Chemie (HOH)

Sequence modifications

A, B: 109 - 626 (UniProt: Q9Y3Z3)

PDB	External Database	Details
Met 88	-	expression tag
Gly 89	-	expression tag
Ser 90	-	expression tag
Ser 91	-	expression tag
His 92	-	expression tag
His 93	-	expression tag
His 94	-	expression tag
His 95	-	expression tag
His 96	-	expression tag
His 97	-	expression tag
Ser 98	-	expression tag
Ser 99	-	expression tag
Gly 100	-	expression tag
Glu 101	-	expression tag
Asn 102	-	expression tag
Leu 103	-	expression tag
Tyr 104	-	expression tag
Phe 105	-	expression tag
Gln 106	-	expression tag
Gly 107	-	expression tag
Ser 108	-	expression tag
Tyr 266	Cys 266	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	124972.4
Non-Polymers*	Number of molecules	8
	Total formula weight	2967.5
All*	Total formula weight	127939.9

*Water molecules are not included.