BMRB: 6302

Solution structure of a diiron protein model: Due DF2-TURN_MUTANTturn mutant

Authors

Maglio, O., Nastri, F., Calhoun, J.R., Lahr, S., Pavone, V., DeGrado, W.F., Lombardi, A.

Assembly

Four-helix bundle model

Entity

1. Four-helix bundle model (polymer, Thiol state: not present), 53 monomers, 6466.307 × 2 Da Detail

MDYLRELYKL EQQAMKLYRE ASEKARNPEK KSVLQKILED EEKHIEWLET ING

2. ZN (non-polymer), 65.409 × 2 Da

Total weight

13063.433 Da

Max. entity weight

6466.307 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

Torsion Angle Dynamics, Simulated Annealing, Energy Restrained Minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 95.8 %, Completeness (bb): 96.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	95.8 % (346 of 361)	95.8 % (346 of 361)
Backbone	96.2 % (102 of 106)	96.2 % (102 of 106)
Sidechain	95.7 % (244 of 255)	95.7 % (244 of 255)
Aromatic	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	100.0 % (26 of 26)	100.0 % (26 of 26)

1. Four-helix bundle model

MDYLRELYKL EQQAMKLYRE ASEKARNPEK KSVLQKILED EEKHIEWLET ING

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.1

#	Name	Isotope labeling	Type	Concentration
1	Four-helix bundle model			0.5 mM
2	phosphate buffer			50 mM
3	H2O			90 %
4	D2O			10 %

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Calculated from 20 models in PDB: 1U7M, Strand ID: A, B Detail

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Release date

2005-05-18

Citation

Artificial diiron proteins: from structure to function
Calhoun, J.R., Nastri, F., Maglio, O., Pavone, V., Lombardi, A., DeGrado, W.F.
Biopolymers (2005), 80, 264-278, PubMed 15700297 , DOI 10.1002/bip.20230 , Abstract

Related entities 1. Four-helix bundle model, : 1 : 1 : 1 : 56 entities Detail

Experiments performed 3 experiments Detail