9FJA

Structure of the F13 protein (A295E mutant) of Vaccinia virus in complex with tecovirimat

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Envelope phospholipase OPG057	polymer	378	42324.8	1	UniProt (P04021) Pfam (PF00614) Pfam (PF13091)	Vaccinia virus Western Reserve	37 kDa protein,Envelope phospholipase F13,Palmitoylated EV membrane protein,p37K
2	B, C, D (A)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
3	E (A)	Tecovirimat	non-polymer		376.3	1	Chemie (A1ICJ)
4	F (A)	water	water		18.0	14	Chemie (HOH)

Sequence modifications

A: 6 - 372 (UniProt: P04021)

PDB	External Database	Details
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
Gly 3	-	expression tag
Ser 4	-	expression tag
Gly 5	-	expression tag
Ala 177	Trp 177	conflict
Ala 178	Leu 178	conflict
Ala 181	Cys 181	conflict
Ala 185	Cys 185	conflict
Ala 186	Cys 186	conflict
Glu 295	Ala 295	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42324.8
Non-Polymers*	Number of molecules	4
	Total formula weight	652.6
All*	Total formula weight	42977.4

*Water molecules are not included.