3TOG

HIV-1 Protease - Epoxydic Inhibitor Complex (pH 9 - Monoclinic Crystal form P21)

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	Gag-Pol polyprotein	polymer	99	10740.7	4	UniProt (P03367) Pfam (PF00077) In PDB	Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-1)	Pr160Gag-Pol, Matrix protein p17, MA, Capsid protein p24, CA, Spacer peptide p2, Nucleocapsid protein p7, NC, Transframe peptide, TF, p6-pol, p6*, Protease, PR, Retropepsin, Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT, p51 RT, p15, Integrase, IN
2	A, B, D	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
3	A, D	(S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide	non-polymer		533.7	2	BIRD (PRD_001019) Chemie (079)
4		water	water		18.0	269	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Lys 7	Gln 507	engineered mutation
Ile 33	Leu 533	engineered mutation
Ile 63	Leu 563	engineered mutation
Ala 67	Cys 567	engineered mutation
Ala 95	Cys 595	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	42962.7
Non-Polymers*	Number of molecules	5
	Total formula weight	1301.7
All*	Total formula weight	44264.4

*Water molecules are not included.