BMRB: 4604

NMR STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES

Authors

Soskic, V., Anders, R., Ohlenschlager, O., Wenschuh, H., Heise, B., Brown, L.R.

Assembly

THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES

Entity

1. THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES (polymer, Thiol state: not present), 20 monomers, 1896.237 Da Detail

XFXSXXLQGX XAAXPXXXQX

Formula weight

1896.237 Da

Source organism

Hypomyces chrysospermus

Exptl. method

NMR

Refine. method

HYBRID DISTANCE GEOMETRY, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 45.0 %, Completeness: 77.0 %, Completeness (bb): 59.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	77.0 % (77 of 100)	100.0 % (52 of 52)	65.8 % (25 of 38)	0.0 % (0 of 10)
Backbone	59.6 % (31 of 52)	100.0 % (18 of 18)	50.0 % (13 of 26)	0.0 % (0 of 8)
Sidechain	96.4 % (54 of 56)	100.0 % (34 of 34)	100.0 % (20 of 20)	0.0 % (0 of 2)
Aromatic	100.0 % (10 of 10)	100.0 % (5 of 5)	100.0 % (5 of 5)
Methyl	100.0 % (8 of 8)	100.0 % (4 of 4)	100.0 % (4 of 4)

1. CHRYSOSPERMIN C

XFXSXXLQGX XAAXPXXXQX

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Sample

Pressure 1 atm, Temperature 318 (±0.2) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CHRYSOSPERMIN C			6.0 mM
2	DPC micelles			0.02 v/v
3	H2O			94 %
4	D2O			6 %

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Protein Blocks Logo

Calculated from 1 models in PDB: 1EE7, Strand ID: A Detail

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Release date

2008-07-16

Citation 1

The NMR solution structure of the ion channel peptaibol chrysospermin C bound to dodecylphosphocholine micelles
Anders, R., Ohlenschlager, O., Soskic, V., Wenschuh, H., Heise, B., Brown, L.R.
Eur. J. Biochem. (2000), 267, 1784-1794, PubMed 10712611 , DOI: , Abstract

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Citation 2

Torsion angle dynamics for NMR structure calculation with the new program DYANA
Guentert, P., Mumenthaler, C., Wuethrich, K.
J. Mol. Biol. (1997), 273, 283-298, PubMed 9367762 , DOI 10.1006/jmbi.1997.1284 , Abstract

Citation 3

The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules
Luginbuehl, P., Guentert, P., Billeter, M., Wuethrich, K.
J. Biomol. NMR (1996), 8, 136-146, PubMed 8914272 , DOI: , Abstract

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Experiments performed 1 experiments Detail