6KMP

100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Protease	polymer	99	10754.7	2	UniProt (Q903T0) Pfam (PF00077) UniProt (by SIFTS) (P03366) In PDB	Human immunodeficiency virus 1
2	B	N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide	non-polymer		801.0	1	BIRD (PRD_001037) Chemie (KVS)
3		water	water		18.0	423	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (UniProt: Q903T0)

PDB	External Database	Details
Lys 7	Gln 7	engineered mutation
Ile 32	Val 32	engineered mutation
Ile 33	Leu 33	engineered mutation
Val 47	Ile 47	engineered mutation
Ile 63	Ala 63	engineered mutation
Ala 67	Cys 67	engineered mutation
Ile 82	Val 82	engineered mutation
Ala 95	Cys 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21509.4
Non-Polymers*	Number of molecules	1
	Total formula weight	801.0
All*	Total formula weight	22310.4

*Water molecules are not included.