9C9V

HBV capsid with compound 3i

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, B, C, D, E... (A, B, C, D, E...)	Capsid protein	polymer	167	18890.5	6	UniProt (L7R9I1) Pfam (PF00906)	Hepatitis B virus	Core antigen,Core protein,HBcAg,p21.5
2	G, H, I, J, K... (A, B, C, D, E...)	N'-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-N-[(1R)-1-(1-oxo-1,2-dihydroisoquinolin-4-yl)ethyl]urea	non-polymer		415.9	6	Chemie (A1AVK)

Sequence modifications

A, B, C, D, E, F: 1 - 149 (UniProt: L7R9I1)

PDB	External Database	Details
Met -2	-	initiating methionine
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 132	Tyr 132	engineered mutation
Lys 150	-	expression tag
Leu 151	-	expression tag
Glu 152	-	expression tag
Asn 153	-	expression tag
Leu 154	-	expression tag
Tyr 155	-	expression tag
Phe 156	-	expression tag
Gln 157	-	expression tag
Gly 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	113343.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2495.3
All*	Total formula weight	115838.4

*Water molecules are not included.