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Found 1 Document (0.926 seconds)

BMRB: 17307

2L6E

NMR Structure of the monomeric mutant C-terminal domain of HIV-1 Capsid in complex with stapled peptide Inhibitor

Authors

Bhattacharya, S., Zhang, H., Debnath, A.K., Cowburn, D.

Assembly

HIV-1 Capsid in complex with stapled peptide Inhibitor

Entity

1. Capsid protein p24 (polymer, Thiol state: all free), 105 monomers, 11467.90 Da Detail

MGSSHHHHHH SSGLVPRGSH MTSILDIRQG PKEPFRDYVD RFYKTLRAEQ ASQEVKNAAT ETLLVQNANP DCKTILKALG PAATLEEMMT ACQGVGGPGH KARVL

2. NYAD-13 Peptide Inhibitor (polymer, Thiol state: not present), 14 monomers, 1743.136 Da Detail

ITFXDLLXYY GKKK

Total weight

13211.036 Da

Max. entity weight

11467.9 Da

Source organism

Human immunodeficiency virus 1

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.1 %, Completeness: 82.2 %, Completeness (bb): 82.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.2 % (1102 of 1340)	87.5 % (611 of 698)	75.9 % (397 of 523)	79.0 % (94 of 119)
Backbone	82.5 % (569 of 690)	87.8 % (209 of 238)	80.4 % (274 of 341)	77.5 % (86 of 111)
Sidechain	81.8 % (619 of 757)	87.4 % (402 of 460)	72.3 % (209 of 289)	100.0 % (8 of 8)
Aromatic	45.7 % (43 of 94)	66.0 % (31 of 47)	25.5 % (12 of 47)
Methyl	94.2 % (113 of 120)	100.0 % (60 of 60)	88.3 % (53 of 60)

1. Capsid protein p24

MGSSHHHHHH SSGLVPRGSH MTSILDIRQG PKEPFRDYVD RFYKTLRAEQ ASQEVKNAAT ETLLVQNANP DCKTILKALG PAATLEEMMT ACQGVGGPGH KARVL

2. NYAD-13 Peptide Inhibitor

ITFXDLLXYY GKKK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
8	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
9	DTT	natural abundance	2 mM
10	ammonium acetate	natural abundance	100 mM
11	D2O	natural abundance	100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2L6E, Strand ID: A, B Detail

Release date

2010-12-15

Citation

Solution structure of a hydrocarbon stapled peptide inhibitor in complex with monomeric C-terminal domain of HIV-1 capsid
Bhattacharya, S., Zhang, H., Debnath, A.K., Cowburn, D.
J. Biol. Chem. (2008), 283, 16274-16278, PubMed 18417468 , DOI 10.1074/jbc.C800048200 , Abstract

Related entities 1. Capsid protein p24, : 5 entities Detail

Related entities 2. NYAD-13 Peptide Inhibitor, : 1 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

3 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

5 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

7 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
8	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
9	DTT	natural abundance	2 mM
10	ammonium acetate	natural abundance	100 mM
11	D2O	natural abundance	100 %

10 2D f1,f2 filtered 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

11 2D f2 filtered 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

12 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

13 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Capsid protein p24	[U-100% 13C; U-100% 15N]	600 uM
2	NYAD-13 Peptide Inhibitor	natural abundance	900 uM
3	DTT	natural abundance	2 mM
4	ammonium acetate	natural abundance	100 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

nullKeywords Protein/stapled peptide complex

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Found 1 Document (0.926 seconds)

BMRB: 17307

Sample #1

Sample #2

Related entities 1. Capsid protein p24, : 5 entities Detail

Related entities 2. NYAD-13 Peptide Inhibitor, : 1 entities Detail

Experiments performed 13 experiments Detail

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