BMRB: 16540

Solution structure of nasonin-1M

Authors

Kouno, T., Tian, C., Luo, L., Zhu, S., Mizuguchi, M.

Assembly

nasonin-1M

Entity

1. nasonin-1M (polymer, Thiol state: all disulfide bound), 33 monomers, 3648.166 Da Detail

ACNDRDCSLD CIMKGYNFGK CVRGSCQCRR TSG

Formula weight

3648.166 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS21:SG
2	disulfide	sing	1:CYS7:SG	1:CYS26:SG
3	disulfide	sing	1:CYS11:SG	1:CYS28:SG

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.2 %, Completeness (bb): 98.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	95.2 % (177 of 186)	95.2 % (177 of 186)
Backbone	98.6 % (69 of 70)	98.6 % (69 of 70)
Sidechain	93.1 % (108 of 116)	93.1 % (108 of 116)
Aromatic	88.9 % (8 of 9)	88.9 % (8 of 9)
Methyl	100.0 % (8 of 8)	100.0 % (8 of 8)

1. nasonin-1M

ACNDRDCSLD CIMKGYNFGK CVRGSCQCRR TSG

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 3.5

#	Name	Isotope labeling	Type	Concentration
1	Nasonin-1M	natural abundance		0.25 ~ 0.3 mM
2	acetic acid	[U-100% 2H]		50 mM
3	sodium chloride	natural abundance		20 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 3.5

#	Name	Isotope labeling	Type	Concentration
6	Nasonin-1M	natural abundance		0.25 ~ 0.3 mM
7	acetic acid	[U-100% 2H]		50 mM
8	sodium chloride	natural abundance		20 mM
9	D2O	[U-100% 2H]		100 %

Hide sample codition

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Calculated from 25 models in PDB: 2KP0, Strand ID: A Detail

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Release date

2012-08-02

Citation

Not known
Luo, L., Tian, C., Kouno, T., Mizuguchi, M., Zhu, S.
Not known

Related entities 1. nasonin-1M, : 1 : 1 : 32 entities Detail

Experiments performed 6 experiments Detail