6O9E

Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Reverse transcriptase p66	polymer	555	63874.1	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075)	Human immunodeficiency virus type 1 (HIV-1)
2	B, D (B, D)	Reverse transcriptase p51	polymer	429	50096.5	2	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	Human immunodeficiency virus type 1 (HIV-1)
3	E, F (F, E)	DNA (38-MER)	polymer	38	11747.5	2		synthetic construct
4	G, H (G, H)	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900003)		sucrose
5	I, J, L, M, R... (A, B, C)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
6	K, U (A, C)	AMMONIUM ION	non-polymer		18.0	2	Chemie (NH4)
7	N, O, T (B, C)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8	P, Q (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	V, X (F, E)	5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile	non-polymer		344.3	2	Chemie (IY1)
10	W (E)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
11	AA, BA, CA, DA, Y... (C, D, F, E, A...)	water	water		18.0	111	Chemie (HOH)

Sequence modifications

A, C: 1 - 555 (UniProt: P03366)

PDB	External Database	Details
Ser 280	Cys 879	engineered mutation
Asn 498	Asp 1097	engineered mutation

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

PDB	External Database	Details
Gly 0	-	expression tag
Ser 280	Cys 879	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	251436.4
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	16
	Total formula weight	1983.9
All*	Total formula weight	254104.9

*Water molecules are not included.