2QI1

Crystal structure of protease inhibitor, MIT-1-KK81 in complex with wild type 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 (A, B)	Protease	polymer	99	10815.8	2	UniProt (O38732) Pfam (PF00077) UniProt (by SIFTS) (P03369)	Human immunodeficiency virus 1
2	C, D, E, G (A, B)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
3	F (A)	N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE	non-polymer		582.7	1	Chemie (MZ4)
4	H, I (A, B)	water	water		18.0	154	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: O38732)

PDB	External Database	Details
Lys 7	Gln 7	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21631.6
Non-Polymers*	Number of molecules	5
	Total formula weight	962.6
All*	Total formula weight	22594.2

*Water molecules are not included.