1D4K

HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC 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)	HIV-1 PROTEASE	polymer	99	10765.7	2	UniProt (P03369) Pfam (PF00077)
2	C, D (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	E (A)	N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE	non-polymer		698.9	1	Chemie (PI8)
4	F, G (A, B)	water	water		18.0	89	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: P03369)

PDB	External Database	Details
Lys 7	Gln 63	engineered mutation
Ile 33	Leu 89	engineered mutation
Aba 67	Cys 123	engineered mutation
Aba 95	Cys 151	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21531.4
Non-Polymers*	Number of molecules	3
	Total formula weight	891.0
All*	Total formula weight	22422.4

*Water molecules are not included.