BMRB: 6303

Solution structure of a diiron protein model

Authors

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

Assembly

Four-helix bundle

Entity

1. Four-helix bundle (polymer, Thiol state: not present), 49 monomers, 5894.639 × 2 Da Detail

MDYLRELYKL EQQAMKLYRE ASERVGDPVL AKILEDEEKH IEWLETING

2. ZN (non-polymer), 65.409 × 2 Da

Total weight

11920.097 Da

Max. entity weight

5894.639 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: 95.9 %, Completeness: 95.0 %, Completeness (bb): 96.0 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H
All	95.0 % (303 of 319)	95.0 % (303 of 319)
Backbone	96.0 % (95 of 99)	96.0 % (95 of 99)
Sidechain	94.5 % (208 of 220)	94.5 % (208 of 220)
Aromatic	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	100.0 % (28 of 28)	100.0 % (28 of 28)

1. Four-helix bundle

MDYLRELYKL EQQAMKLYRE ASERVGDPVL AKILEDEEKH IEWLETING

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.1

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

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 1U7J, Strand ID: A, B Detail

---

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, : 1 : 1 : 50 entities Detail

Experiments performed 3 experiments Detail