2YNF

HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	REVERSE TRANSCRIPTASE/RIBONUCLEASE H	polymer	563	64845.3	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075)	HIV-1 M\:B_HXB2R (HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HXB2 ISOLATE))	EXORIBONUCLEASE H, P66 RT
2	B (B)	P51 RT	polymer	447	52238.9	1	UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	HIV-1 M\:B_HXB2R (HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HXB2 ISOLATE))
3	C, D, E (A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	F (A)	D(-)-TARTARIC ACID	non-polymer		150.1	1	Chemie (TAR)
5	G (A)	2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide	non-polymer		499.1	1	Chemie (WHU)
6	H, I (A, B)	water	water		18.0	434	Chemie (HOH)

Sequence modifications

A: 1 - 560 (UniProt: P04585)

PDB	External Database	Details
Met -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag
Leu 188	Tyr 775	engineered mutation

B: 1 - 428 (UniProt: P04585)

PDB	External Database	Details
Met -18	-	expression tag
Ala -17	-	expression tag
Gly -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
Ala -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	117084.2
Non-Polymers*	Number of molecules	5
	Total formula weight	722.1
All*	Total formula weight	117806.3

*Water molecules are not included.