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BMRB: 16695

6UM8

Backbone Assignments for the HIV-1 Integrase Core Domain (residues 50-212)

Authors

Fitzkee, N.C., Masse, J.E., Shen, Y., Davies, D.R., Bax, A.

Assembly

Integrase Core Domain Dimer

Entity

1. Integrase Core Domain Dimer (polymer, Thiol state: all free), 166 monomers, 18099.36 × 2 Da Detail

GSHMHGEVDS SPGIWQLDCT HLEGKVILVA VHVASGYIEA EVIPAETGQE TAYFLLKLAG RWPVKTVHTD NGSNFTSTTV KAACEWAGIK QEFGIPYNPQ SQGVIESMNK ELKKIIGQVR DQAEHLKTAV QMAVFIHNKK RKGGIGGYSA GERIVDIIAT DIETKE

Total weight

36198.72 Da

Max. entity weight

18099.36 Da

Source organism

Human immunodeficiency virus 1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 97.6 %, Completeness: 46.1 %, Completeness (bb): 80.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	46.1 % (872 of 1892)	23.8 % (232 of 976)	65.9 % (487 of 739)	86.4 % (153 of 177)
Backbone	80.2 % (791 of 986)	49.7 % (171 of 344)	97.3 % (468 of 481)	94.4 % (152 of 161)
Sidechain	21.4 % (226 of 1055)	9.8 % (62 of 632)	40.0 % (163 of 407)	6.3 % (1 of 16)
Aromatic	0.0 % (0 of 136)	0.0 % (0 of 68)	0.0 % (0 of 65)	0.0 % (0 of 3)
Methyl	21.2 % (42 of 198)	18.2 % (18 of 99)	24.2 % (24 of 99)

1. Integrase Core Domain

GSHMHGEVDS SPGIWQLDCT HLEGKVILVA VHVASGYIEA EVIPAETGQE TAYFLLKLAG RWPVKTVHTD NGSNFTSTTV KAACEWAGIK QEFGIPYNPQ SQGVIESMNK ELKKIIGQVR DQAEHLKTAV QMAVFIHNKK RKGGIGGYSA GERIVDIIAT DIETKE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Concentration
1	Integrase Core Domain	[U-13C; U-15N; U-2H]	300-700 uM
2	HEPES	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	magnesium chloride	natural abundance	40 mM
5	TCEP	natural abundance	2 mM
6	sodium azide	natural abundance	0.02 % w/v

Chem. Shift Complete2

Sequence coverage: 20.5 %, Completeness: 29.3 %, Completeness (bb): 48.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	29.3 % (1109 of 3784)	17.1 % (333 of 1952)	39.9 % (589 of 1478)	52.8 % (187 of 354)
Backbone	48.8 % (962 of 1972)	32.1 % (221 of 688)	57.8 % (556 of 962)	57.5 % (185 of 322)
Sidechain	15.3 % (323 of 2110)	8.9 % (113 of 1264)	25.6 % (208 of 814)	6.3 % (2 of 32)
Aromatic	2.2 % (6 of 272)	2.9 % (4 of 136)	1.5 % (2 of 130)	0.0 % (0 of 6)
Methyl	13.4 % (53 of 396)	10.6 % (21 of 198)	16.2 % (32 of 198)

1. Integrase Core Domain

GSHMHGEVDS SPGIWQLDCT HLEGKVILVA VHVASGYIEA EVIPAETGQE TAYFLLKLAG RWPVKTVHTD NGSNFTSTTV KAACEWAGIK QEFGIPYNPQ SQGVIESMNK ELKKIIGQVR DQAEHLKTAV QMAVFIHNKK RKGGIGGYSA GERIVDIIAT DIETKE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Concentration
1	Integrase Core Domain	[U-13C; U-15N; U-2H]	300-700 uM
2	HEPES	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	magnesium chloride	natural abundance	40 mM
5	TCEP	natural abundance	2 mM
6	sodium azide	natural abundance	0.02 % w/v

Release date

2010-05-04

Citation

Solution conformation and dynamics of the HIV-1 integrase core domain
Fitzkee, N.C., Masse, J.E., Shen, Y., Davies, D.R., Bax, A.
J. Biol. Chem. (2010), 285, 18072-18084, PubMed 20363759 , DOI 10.1074/jbc.M110.113407 , Abstract

Related entities 1. Integrase Core Domain Dimer, : 1 : 1 : 8 : 168 entities Detail

Interaction partners 1. Integrase Core Domain Dimer, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC