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BMRB: 5347

1O1W

Solution Structure of the RNase H Domain of the HIV-1 Reverse Transcriptase in Presence of Magnesium

Authors

Pari, K., Mueller, G.A., DeRose, E.F., Kirby, T.W., London, R.E.

Assembly

RNase H domain of the HIV-1 reverse transcriptase

Entity

1. HIV-1 RNase H (polymer, Thiol state: not present), 138 monomers, 15260.14 Da Detail

MNELYQLEKE PIVGAETFYV DGAANRETKL GKAGYVTNRG RQKVVTLTDT TNQKTELQAI YLALQDSGLE VNIVTDSQYA LGIIQAQPDQ SESELVNQII EQLIKKEKVY LAWVPAHKGI GGNEQVDKLV SAGIRKVL

2. MG (non-polymer), 24.305 Da

Total weight

15284.444 Da

Max. entity weight

15260.14 Da

Source organism

HIV-1 M:B_HXB2R

Exptl. method

NMR

Refine. method

AUTOMATED STRUCTURE DETERMINATION WITH ARIA

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.8 %, Completeness: 88.8 %, Completeness (bb): 88.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (1429 of 1610)	88.9 % (743 of 836)	88.9 % (550 of 619)	87.7 % (136 of 155)
Backbone	88.3 % (726 of 822)	88.7 % (252 of 284)	88.3 % (356 of 403)	87.4 % (118 of 135)
Sidechain	89.2 % (816 of 915)	88.9 % (491 of 552)	89.5 % (307 of 343)	90.0 % (18 of 20)
Aromatic	86.5 % (64 of 74)	86.5 % (32 of 37)	86.1 % (31 of 36)	100.0 % (1 of 1)
Methyl	90.4 % (170 of 188)	90.4 % (85 of 94)	90.4 % (85 of 94)

1. HIV-1 RNase H

MNELYQLEKE PIVGAETFYV DGAANRETKL GKAGYVTNRG RQKVVTLTDT TNQKTELQAI YLALQDSGLE VNIVTDSQYA LGIIQAQPDQ SESELVNQII EQLIKKEKVY LAWVPAHKGI GGNEQVDKLV SAGIRKVL

Show sample condition

Sample

Temperature 298 (±0.25) K, pH 6.8 (±0.01)

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 RNase H	[U-90% 13C; U-90% 15N]		1.1 mM
2	magnesium			80 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.07 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.15 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 7 models in PDB: 1O1W, Strand ID: A Detail

Release date

2003-02-24

Citation

Solution structure of the RNase H domain of the HIV-1 reverse transcriptase in the presence of magnesium
Pari, K., Mueller, G.A., DeRose, E.F., Kirby, T.W., London, R.E.
Biochemistry (2003), 42, 639-650, PubMed 12534276 , DOI 10.1021/bi0204894 , Abstract

Related entities 1. HIV-1 RNase H, : 1 : 1 : 94 : 116 entities Detail

Interaction partners 1. HIV-1 RNase H, : 5 interactors Detail

More details for 5 interactors identified by 4 citations

Experiments performed 10 experiments Detail

1 1H-15N HSQC