5TXL

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (A, C)	HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT	polymer	556	64022.4	2	UniProt (P03366)	Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)	Pr160Gag-Pol
2	B, F (B, D)	HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT	polymer	444	51928.6	2	UniProt (P03366)	Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)	Pr160Gag-Pol
3	C, G (T, E)	DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP* CP*TP*GP*TP*G)-3')	polymer	27	8383.4	2		Human immunodeficiency virus 1
4	D, H (P, F)	DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG) P*CP*GP*CP*CP*GP)-3')	polymer	21	6490.3	2		Human immunodeficiency virus 1
5	I, J (G, H)	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900003)		sucrose
6	K, L, S, T (A, C)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
7	M, R (A, C)	2'-DEOXYADENOSINE 5'-TRIPHOSPHATE	non-polymer		491.2	2	Chemie (DTP) PubChem (622) PubChem (15993) PubChem (44119995) PubChem (448808) PubChem (46936612) PubChem (57233913) PubChem (91632917) PubChem (92341128) PubChem (92449119) PubChem (92449120) PubChem (89346292) PubChem (129069956) PubChem (171699368)
8	N (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
9	O, P, Q, U, V (B, T, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
10	AA, BA, CA, W, X... (C, D, F, A, B...)	water	water		18.0	219	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -1	-	initiating methionine
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
Met -15	-	initiating methionine
Ala -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Ala -7	-	expression tag
Leu -6	-	expression tag
Glu -5	-	expression tag
Val -4	-	expression tag
Leu -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 280	Cys 879	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	261649.4
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	12
	Total formula weight	1486.0
All*	Total formula weight	263820.0

*Water molecules are not included.