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Found 1 Document (6.042 seconds)

BMRB: 11022

2RNG

1H chemical shift assignment for big defensin

Authors

Kouno, T., Fujitani, N., Osaki, T., Kawabata, S., Nishimura, S., Mizuguchi, M., Aizawa, T., Demura, M., Nitta, K., Kawano, K.

Assembly

big defensin monomer

Entity

1. big defensin monomer (polymer, Thiol state: all disulfide bound), 79 monomers, 8635.778 Da Detail

NPLIPAIYIG ATVGPSVWAY LVALVGAAAV TAANIRRASS DNHSCAGNRG WCRSKCFRHE YVDTYYSAVC GRYFCCRSR

Formula weight

8635.778 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS45:SG	1:CYS75:SG
2	disulfide	sing	1:CYS52:SG	1:CYS70:SG
3	disulfide	sing	1:CYS56:SG	1:CYS76:SG

Source organism

Tachypleus tridentatus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 95.9 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	95.9 % (423 of 441)	95.9 % (423 of 441)
Backbone	97.5 % (157 of 161)	97.5 % (157 of 161)
Sidechain	95.0 % (266 of 280)	95.0 % (266 of 280)
Aromatic	94.0 % (47 of 50)	94.0 % (47 of 50)
Methyl	100.0 % (43 of 43)	100.0 % (43 of 43)

1. antimicrobial protein

NPLIPAIYIG ATVGPSVWAY LVALVGAAAV TAANIRRASS DNHSCAGNRG WCRSKCFRHE YVDTYYSAVC GRYFCCRSR

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	big defensin	natural abundance	0.12 mM
2	acetic acid	[U-100% 2H]	50 mM
3	sodium chloride	natural abundance	20 mM
4	DSS	natural abundance	0.05 mM
5	D2O	[U-100% 2H]	5 %
6	H2O	natural abundance	95 %

Sample #2

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

#	Name	Isotope labeling	Concentration
7	big defensin	natural abundance	0.12 mM
8	acetic acid	[U-100% 2H]	50 mM
9	sodium chloride	natural abundance	20 mM
10	DSS	natural abundance	0.05 mM
11	D2O	[U-100% 2H]	100 %

Protein Blocks Logo

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

Release date

2008-11-10

Citation

A novel beta-defensin structure: a potential strategy of big defensin for overcoming resistance by Gram-positive bacteria
Kouno, T., Fujitani, N., Mizuguchi, M., Osaki, T., Nishimura, S., Kawabata, S., Aizawa, T., Demura, M., Nitta, K., Kawano, K.
Biochemistry (2008), 47, 10611-10619, PubMed 18785751 , DOI 10.1021/bi800957n , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P80957 released on 1997-11-01
Title BDEF_TACTR Entity Big defensin

Related entities 1. big defensin monomer, : 1 : 1 : 4 entities Detail

Experiments performed 6 experiments Detail

1 2D DQF-COSY

Instrument

Bruker Avance - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	big defensin	natural abundance	0.12 mM
2	acetic acid	[U-100% 2H]	50 mM
3	sodium chloride	natural abundance	20 mM
4	DSS	natural abundance	0.05 mM
5	D2O	[U-100% 2H]	5 %
6	H2O	natural abundance	95 %

2 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	big defensin	natural abundance	0.12 mM
2	acetic acid	[U-100% 2H]	50 mM
3	sodium chloride	natural abundance	20 mM
4	DSS	natural abundance	0.05 mM
5	D2O	[U-100% 2H]	5 %
6	H2O	natural abundance	95 %

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	big defensin	natural abundance	0.12 mM
2	acetic acid	[U-100% 2H]	50 mM
3	sodium chloride	natural abundance	20 mM
4	DSS	natural abundance	0.05 mM
5	D2O	[U-100% 2H]	5 %
6	H2O	natural abundance	95 %

4 2D DQF-COSY

Instrument

Bruker Avance - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
7	big defensin	natural abundance	0.12 mM
8	acetic acid	[U-100% 2H]	50 mM
9	sodium chloride	natural abundance	20 mM
10	DSS	natural abundance	0.05 mM
11	D2O	[U-100% 2H]	100 %

5 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
7	big defensin	natural abundance	0.12 mM
8	acetic acid	[U-100% 2H]	50 mM
9	sodium chloride	natural abundance	20 mM
10	DSS	natural abundance	0.05 mM
11	D2O	[U-100% 2H]	100 %

6 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
7	big defensin	natural abundance	0.12 mM
8	acetic acid	[U-100% 2H]	50 mM
9	sodium chloride	natural abundance	20 mM
10	DSS	natural abundance	0.05 mM
11	D2O	[U-100% 2H]	100 %

null

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Found 1 Document (6.042 seconds)

BMRB: 11022

Sample #1

Sample #2

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. big defensin monomer, : 1 : 1 : 4 entities Detail

Experiments performed 6 experiments Detail

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