BMRB: 5747

Solution structure of a four-helix bundle model, apo-DF1

Authors

Maglio, O., Nastri, F., Pavone, V., Lombardi, A., DeGrado, W.F.

Assembly

Homodimeric Alpha2 Four-Helix Bundle

Entity

1. Homodimeric Alpha2 Four-Helix Bundle (polymer, Thiol state: not present), 50 monomers, 5862.828 × 2 Da Detail

XDYLRELLKL ELQLIKQYRE ALEYVKLPVL AKILEDEEKH IEWLETILGX

Total weight

11725.656 Da

Max. entity weight

5862.828 Da

Exptl. method

NMR

Refine. method

Torsion Angle Dynamics, Simulated Annealing, Energy Restrained Minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.0 %, Completeness: 93.3 %, Completeness (bb): 90.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	93.3 % (306 of 328)	93.3 % (306 of 328)
Backbone	90.6 % (87 of 96)	90.6 % (87 of 96)
Sidechain	94.4 % (219 of 232)	94.4 % (219 of 232)
Aromatic	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	89.7 % (35 of 39)	89.7 % (35 of 39)

1. Diiron protein model

XDYLRELLKL ELQLIKQYRE ALEYVKLPVL AKILEDEEKH IEWLETILGX

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 4.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Diiron protein model			1.0 mM
2	H20			90 %
3	DMSO	[U-2H]		10 %

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Protein Blocks Logo

Calculated from 14 models in PDB: 1NVO, Strand ID: A, B Detail

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Release date

2003-05-21

Citation

Preorganization of molecular binding sites in designed diiron proteins
Maglio, O., Nastri, F., Pavone, V., Lombardi, A., DeGrado, W.F.
Proc. Natl. Acad. Sci. U. S. A. (2003), 100, 3772-3777, PubMed 12655072 , DOI 10.1073/pnas.0730771100 , Abstract

Related entities 1. Homodimeric Alpha2 Four-Helix Bundle, : 1 : 8 : 61 entities Detail

Experiments performed 3 experiments Detail