8GBU

Hepatitis B capsid Y132A mutant with compound AB-506

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) UniProt (by SIFTS) (P03147)	Hepatitis B virus	Core antigen,Core protein,HBcAg,p21.5
2	G, H, J, K, O... (A, B, C, E)	(1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate	non-polymer		461.8	6	Chemie (YWE) PubChem (142433688)
3	I, L, M, N, Q... (A, C, D, E, F)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
4	U, V, W, X, Y... (A, B, C, D, E...)	water	water		18.0	74	Chemie (HOH)

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	14
	Total formula weight	3267.6
All*	Total formula weight	116610.7

*Water molecules are not included.