BMRB: 5613

A minimal beta-hairpin peptide scaffold for beta-turn display

Authors

Russell, S.J., Blandl, T., Skelton, N.J., Cochran, A.G.

Assembly

bhpW, disulfide cyclized beta-hairpin peptide

Entity

1. bhpW, disulfide cyclized beta-hairpin peptide (polymer, Thiol state: all disulfide bound), 12 monomers, 1178.361 Da Detail

XCTWEGNKLT CX

Formula weight

1178.361 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS11:SG

Exptl. method

NMR

Refine. method

Distance geometry and restrained molecular dynamics with chemical shift restraints.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.3 %, Completeness: 100.0 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	100.0 % (58 of 58)	100.0 % (58 of 58)
Backbone	100.0 % (21 of 21)	100.0 % (21 of 21)
Sidechain	100.0 % (37 of 37)	100.0 % (37 of 37)
Aromatic	100.0 % (6 of 6)	100.0 % (6 of 6)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. bhpW

XCTWEGNKLT CX

Show sample condition

Sample

Pressure 1 atm, Temperature 288 (±1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	bhpW			5 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 1N09, Strand ID: A Detail

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Release date

2002-12-02

Citation 1

Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair
Russell, S.J., Blandl, T., Skelton, N.J., Cochran, A.G.
J. Am. Chem. Soc. (2003), 125, 388-395, PubMed 12517150 , DOI 10.1021/ja028075l , Abstract

Show more 1 citaion

Citation 2

A minimal peptide scaffold for beta-turn display: optimizing a strand position in disulfide-cyclized beta-hairpins
Cochran, A.G., Tong, R.T., Starovasnik, M.A., Park, E.J., McDowell, R.S., Theaker, J.E., Skelton, N.J.
J. Am. Chem. Soc. (2001), 123, 625-632, PubMed 11456574 , DOI 10.1021/ja003369x , Abstract

Hide non-primary 1 citaion

Related entities 1. bhpW, disulfide cyclized beta-hairpin peptide, : 1 : 2 entities Detail

Experiments performed 4 experiments Detail