8P44

Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D

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	MPXVgp165	polymer	198	22509.9	4	UniProt (A0A7H0DNF0) In PDB	Monkeypox virus
2	A, B, C, D	9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one	non-polymer		693.5	4	Chemie (WY8)
3		water	water		18.0	591	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 197 (UniProt: A0A7H0DNF0)

PDB	External Database	Details
Ser 0	-	expression tag
Met 1	-	expression tag
Ala 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	90039.6
Non-Polymers*	Number of molecules	4
	Total formula weight	2774.1
All*	Total formula weight	92813.7

*Water molecules are not included.