9N3H

Crystal structure of HBV capsid with compound 18

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 (A, B)	Capsid protein	polymer	160	18004.6	2	UniProt (P03147) Pfam (PF00906)	Hepatitis B virus genotype D subtype adw (isolate United Kingdom/adyw/1979) (HBV-D)	Core antigen,Core protein,HBcAg,p21.5
2	C, D (A, B)	N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide	non-polymer		447.5	2	Chemie (A1BVU)
3	E, F (A, B)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A, B: 1 - 149 (UniProt: P03147)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36009.2
Non-Polymers*	Number of molecules	2
	Total formula weight	895.0
All*	Total formula weight	36904.1

*Water molecules are not included.