5HBM

Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Reverse transcriptase/ribonuclease H	polymer	557	63989.2	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB	Human immunodeficiency virus type 1 BH10 (HIV-1)	Exoribonuclease H, p66 RT
2	B	p51 RT	polymer	429	50096.5	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB	Human immunodeficiency virus type 1 BH10 (HIV-1)	Pr160Gag-Pol
3	A	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE	non-polymer		266.3	1	Chemie (NVP)
4	A	(7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid	non-polymer		236.2	1	Chemie (F95)
5	A	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
6		water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 1 - 555 (UniProt: P03366)

PDB	External Database	Details
Met -1	-	initiating methionine
Val 0	-	expression tag
Ala 172	Lys 771	engineered mutation
Ala 173	Lys 772	engineered mutation
Ser 280	Cys 879	engineered mutation

B: 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	2
	Total formula weight	114085.8
Non-Polymers*	Number of molecules	4
	Total formula weight	612.4
All*	Total formula weight	114698.1

*Water molecules are not included.