2XDE

Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	GAG POLYPROTEIN	polymer	145	16217.5	2	UniProt (Q9IQV5) UniProt (by SIFTS) (P12497) In PDB	HUMAN IMMUNODEFICIENCY VIRUS 1	HIV-1 CAPSID
2	A, B	N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE	non-polymer		425.5	2	Chemie (1B0)
3		water	water		18.0	382	Chemie (HOH)

Sequence modifications

A, B: 1 - 146 (UniProt: Q9IQV5)

PDB	External Database	Details
Met 0	-	expression tag
-	His 87	deletion
-	Ala 88	deletion
-	Gly 89	deletion
-	Pro 90	deletion
-	Ile 91	deletion
-	Ala 92	deletion
-	Pro 93	deletion
-	Gly 94	deletion
-	Gln 95	deletion
-	Met 96	deletion
His 120	Asn 120	conflict
Gly 147	-	expression tag
Gly 148	-	expression tag
His 149	-	expression tag
His 150	-	expression tag
His 151	-	expression tag
His 152	-	expression tag
His 153	-	expression tag
His 154	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32435.0
Non-Polymers*	Number of molecules	2
	Total formula weight	851.0
All*	Total formula weight	33286.0

*Water molecules are not included.