2FDD

Crystal structure of HIV protease D545701 bound with GW0385

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Gag-Pol polyprotein	polymer	100	10914.8	2	GenBank (P03368) Pfam (PF00077) UniProt (by SIFTS) (Q7SPG9) In PDB	Human immunodeficiency virus 1
2	B	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE	non-polymer		703.8	1	Chemie (385)
3		water	water		18.0	302	Chemie (HOH)

Sequence modifications

A, B: 1 - 99 (GenBank: P03368)

PDB	External Database	Details
Met 0	-	initiating methionine
Ile 10	Leu 509	engineered mutation
Gln 19	Leu 518	engineered mutation
Arg 20	Lys 519	engineered mutation
Asp 35	Glu 534	engineered mutation
Ile 36	Met 535	engineered mutation
Asn 37	Ser 536	engineered mutation
Ile 46	Met 545	engineered mutation
Val 50	Ile 549	engineered mutation
Val 54	Ile 553	engineered mutation
Val 62	Ile 561	engineered mutation
Pro 63	Leu 562	engineered mutation
Val 71	Ala 570	engineered mutation
Ala 82	Val 581	engineered mutation
Met 90	Leu 589	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21829.5
Non-Polymers*	Number of molecules	1
	Total formula weight	703.8
All*	Total formula weight	22533.4

*Water molecules are not included.