3TH9

Crystal Structure of HIV-1 Protease Mutant Q7K V32I L63I with a cyclic sulfonamide inhibitor

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)	Gag-Pol polyprotein	polymer	99	10804.8	2	UniProt (P0C6F2) Pfam (PF00077)	Human immunodeficiency virus type 1 lw12.3 isolate (HIV-1)	Protease
2	C, D (A, B)	tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate	non-polymer		492.6	2	Chemie (9Y9)
3	E, F (A, B)	water	water		18.0	238	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: P0C6F2)

PDB	External Database	Details
Lys 7	Gln 495	engineered mutation
Ile 33	Leu 521	engineered mutation
Ile 63	Leu 551	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21609.6
Non-Polymers*	Number of molecules	2
	Total formula weight	985.2
All*	Total formula weight	22594.8

*Water molecules are not included.