8DCH

Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x with GRL-0519 (tris-tetrahydrofuran as P2 ligand)

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	10784.6	2	UniProt (P03367) Pfam (PF00077) In PDB	Human immunodeficiency virus 1	PR,Retropepsin
2	A	(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate	non-polymer		604.7	1	Chemie (G52)
3	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5		water	water		18.0	213	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Lys 7	Gln 507	engineered mutation
Phe 10	Leu 510	engineered mutation
Val 13	Ile 513	engineered mutation
Ile 19	Leu 519	engineered mutation
Thr 20	Lys 520	engineered mutation
Ile 32	Val 532	engineered mutation
Ile 33	Leu 533	engineered mutation
Asn 35	Glu 535	engineered mutation
Ile 36	Met 536	engineered mutation
Ile 46	Met 546	engineered mutation
Gln 48	Gly 548	engineered mutation
Leu 54	Ile 554	engineered mutation
Pro 63	Leu 563	engineered mutation
Glu 67	Cys 567	engineered mutation
Val 71	Ala 571	engineered mutation
Ser 74	Thr 574	engineered mutation
Val 76	Leu 576	engineered mutation
Val 84	Ile 584	engineered mutation
Val 89	Leu 589	engineered mutation
Met 90	Leu 590	engineered mutation
Ser 91	Thr 591	engineered mutation
Leu 93	Ile 593	engineered mutation
Ala 95	Cys 595	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21569.1
Non-Polymers*	Number of molecules	4
	Total formula weight	767.7
All*	Total formula weight	22336.8

*Water molecules are not included.