9YVW

HIV-1 RT F227C with DNA and islatravir-triphosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	P66	polymer	560	64477.9	1	UniProt (A7YKL0)	Human immunodeficiency virus 1
2	B (B)	P51	polymer	452	52748.4	1	UniProt (A7YKL0)	Human immunodeficiency virus 1
3	C (P)	Primer	polymer	21	6490.3	1		Human immunodeficiency virus 1
4	D (T)	Template	polymer	27	8383.4	1		Human immunodeficiency virus 1
5	E (A)	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)	non-polymer		533.2	1	Chemie (6FN)
6	F, G, H, I, M... (A, B, P)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
7	J, K, R, S (A, P, T)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
8	L (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL) PubChem (312)
9	T (T)	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	1	Chemie (B3P) PubChem (125132)
10	U, V, W, X (A, B, P, T)	water	water		18.0	929	Chemie (HOH)

Sequence modifications

A: 1 - 560 (UniProt: A7YKL0)

PDB	External Database	Details
Thr 39	Ala 199	conflict
Lys 64	Arg 224	conflict
Cys 227	Phe 387	engineered mutation
Cys 258	Gln 418	conflict
Ser 280	Cys 440	conflict

B: 1 - 440 (UniProt: A7YKL0)

PDB	External Database	Details
Met -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Thr 39	Ala 199	conflict
Lys 64	Arg 224	conflict
Ser 280	Cys 440	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132099.9
Non-Polymers*	Number of molecules	16
	Total formula weight	1506.8
All*	Total formula weight	133606.7

*Water molecules are not included.