1SGU

Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	POL polyprotein	polymer	99	10835.7	2	UniProt (P03367) Pfam (PF00077) In PDB	Human immunodeficiency virus 1	Retropepsin
2	B	N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE	non-polymer		613.8	1	Chemie (MK1)
3		water	water		18.0	95	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: P03367)

PDB	External Database	Details
Arg 20	Lys 88	engineered mutation
Ile 32	Val 100	engineered mutation
Phe 33	Leu 101	engineered mutation
Ile 36	Met 104	engineered mutation
Val 54	Ile 122	engineered mutation
Pro 63	Leu 131	engineered mutation
Val 71	Ala 139	engineered mutation
Ala 82	Val 150	engineered mutation
Val 84	Ile 152	engineered mutation
Met 90	Leu 158	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21671.4
Non-Polymers*	Number of molecules	1
	Total formula weight	613.8
All*	Total formula weight	22285.2

*Water molecules are not included.