3GI0

Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [l-ala51,d-ala51'] hiv-1 protease molecule complexed with jg-365 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	COVALENT DIMER [L-ALA51,D-ALA51'] HIV-1 PROTEASE	polymer	203	21919.7	2	UniProt (P03369) Pfam (PF00077) In PDB	Homo sapiens
2	C, D	JG-365 inhibitor	polymer	7	845.0	2	BIRD (PRD_000228)	synthetic construct
3		water	water		18.0	96	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Lys 7	Gln 497	SEE REMARK 999
Ile 33	Leu 523	SEE REMARK 999
Nle 36	Met 526	SEE REMARK 999
Ycm 41	Lys 531	SEE REMARK 999
Nle 46	Met 536	SEE REMARK 999
Ala 51	Gly 541	SEE REMARK 999
Aba 67	Cys 557	SEE REMARK 999
Aba 95	Cys 585	SEE REMARK 999
Ycm 100	-	SEE REMARK 999
Gly 101	-	SEE REMARK 999
Gly 102	-	SEE REMARK 999
Gly 103	-	SEE REMARK 999
Gly 104	-	SEE REMARK 999

A, B: 105 - 203 (UniProt: P03369)

PDB	External Database	Details
Lys 111	Gln 497	SEE REMARK 999
Ile 137	Leu 523	SEE REMARK 999
Nle 140	Met 526	SEE REMARK 999
Ycm 145	Lys 531	SEE REMARK 999
Nle 150	Met 536	SEE REMARK 999
Dal 155	Gly 541	SEE REMARK 999
Aba 171	Cys 557	SEE REMARK 999
Aba 199	Cys 585	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	45529.5
All*	Total formula weight	45529.5

*Water molecules are not included.