4R5P

Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	HIV-1 reverse transcriptase, p66 subunit	polymer	556	64022.4	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB	Human immunodeficiency virus type 1 (HIV-1)
2	B, D	HIV-1 reverse transcriptase, p51 subunit	polymer	428	50039.5	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB	Human immunodeficiency virus type 1 (HIV-1)
3	T, E	5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'	polymer	27	8392.4	2		synthetic construct
4	P, F	5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'	polymer	21	6490.3	2		synthetic construct
5	G, H	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900003)		sucrose
6	A, C, B, D	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
7	A, C	[(1R)-2-methoxy-1-{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid	non-polymer		362.3	2	Chemie (3JY)
8	C	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
9		water	water		18.0	6	Chemie (HOH)

Sequence modifications

A, C: 1 - 554 (UniProt: P03366)

PDB	External Database	Details
Met -1	-	expression tag
Val 0	-	expression tag
Cys 258	Gln 857	engineered mutation
Ser 280	Cys 879	engineered mutation
Asn 498	Asp 1097	engineered mutation

B, D: 1 - 428 (UniProt: P03366)

PDB	External Database	Details
Ser 280	Cys 879	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	257889.1
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	9
	Total formula weight	966.4
All*	Total formula weight	259540.2

*Water molecules are not included.