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BMRB: 6915

2LA1

1H and 15N Chemical Shift Assignments of Recombinant Dendroaspin

Authors

Chuang, W., Cheng, C., Chen, Y.

Assembly

Dendroaspin monomer

Entity

1. Dendroaspin monomer (polymer, Thiol state: all disulfide bound), 67 monomers, 7852.736 Da Detail

EFHHHHHHRI CYNHLGTKPP TTETCQEDSC YKNIWTFDNI IRRGCGCFTP RGDMPGPYCC ESDKCNL

Formula weight

7852.736 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS30:SG
2	disulfide	sing	1:CYS25:SG	1:CYS45:SG
3	disulfide	sing	1:CYS47:SG	1:CYS59:SG
4	disulfide	sing	1:CYS60:SG	1:CYS65:SG

Source organism

Dendroaspis jamesoni kaimosae

Exptl. method

NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.6 %, Completeness: 84.7 %, Completeness (bb): 87.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	84.7 % (400 of 472)	84.2 % (340 of 404)	88.2 % (60 of 68)
Backbone	87.8 % (172 of 196)	87.3 % (117 of 134)	88.7 % (55 of 62)
Sidechain	82.6 % (228 of 276)	82.6 % (223 of 270)	83.3 % (5 of 6)
Aromatic	60.4 % (29 of 48)	61.7 % (29 of 47)	0.0 % (0 of 1)
Methyl	94.4 % (17 of 18)	94.4 % (17 of 18)

1. Dendroaspin - snake toxin

EFHHHHHHRI CYNHLGTKPP TTETCQEDSC YKNIWTFDNI IRRGCGCFTP RGDMPGPYCC ESDKCNL

Show sample condition

Sample

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Isotope labeling	Concentration
6	Dendroaspin	[U-98% 15N]	1.92 (±0.01) mM
7	H2O		90 %
8	D2O		10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2LA1, Strand ID: A Detail

Release date

2009-05-26

Citation

Expression in Pichia pastoris and backbone dynamics of dendroaspin, a three finger toxin
Chuang, W., Cheng, C., Chen, Y.
Proteins

Related entities 1. Dendroaspin monomer, : 1 : 2 : 143 entities Detail

Experiments performed 6 experiments Detail

1 2D 1H-1H TOCSY

Instrument

Model Bruker AVANCE (600 MHz)

Sample #1

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Concentration
1	Dendroaspin	3.18 (±0.1) mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 100 % D2O

#	Name	Isotope labeling	Type	Concentration
4	Dendroaspin			3.18 (±0.1) mM
5	D2O			100 %

Sample #3

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Isotope labeling	Concentration
6	Dendroaspin	[U-98% 15N]	1.92 (±0.01) mM
7	H2O		90 %
8	D2O		10 %

2 2D 1H-1H NOESY

Instrument

Model Bruker AVANCE (600 MHz)

Sample #1

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Concentration
1	Dendroaspin	3.18 (±0.1) mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 100 % D2O

#	Name	Isotope labeling	Type	Concentration
4	Dendroaspin			3.18 (±0.1) mM
5	D2O			100 %

Sample #3

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Isotope labeling	Concentration
6	Dendroaspin	[U-98% 15N]	1.92 (±0.01) mM
7	H2O		90 %
8	D2O		10 %

3 2D 1H-15N HSQC

Instrument

Model Bruker AVANCE (600 MHz)

Sample #1

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Concentration
1	Dendroaspin	3.18 (±0.1) mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 100 % D2O

#	Name	Isotope labeling	Type	Concentration
4	Dendroaspin			3.18 (±0.1) mM
5	D2O			100 %

Sample #3

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Isotope labeling	Concentration
6	Dendroaspin	[U-98% 15N]	1.92 (±0.01) mM
7	H2O		90 %
8	D2O		10 %

4 3D 1H-1H-15N TOCSY

Instrument

Model Bruker AVANCE (600 MHz)

Sample #1

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Concentration
1	Dendroaspin	3.18 (±0.1) mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 100 % D2O

#	Name	Isotope labeling	Type	Concentration
4	Dendroaspin			3.18 (±0.1) mM
5	D2O			100 %

Sample #3

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Isotope labeling	Concentration
6	Dendroaspin	[U-98% 15N]	1.92 (±0.01) mM
7	H2O		90 %
8	D2O		10 %

5 3D 1H-1H-15N NOESY

Instrument

Model Bruker AVANCE (600 MHz)

Sample #1

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Concentration
1	Dendroaspin	3.18 (±0.1) mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 100 % D2O

#	Name	Isotope labeling	Type	Concentration
4	Dendroaspin			3.18 (±0.1) mM
5	D2O			100 %

Sample #3

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Isotope labeling	Concentration
6	Dendroaspin	[U-98% 15N]	1.92 (±0.01) mM
7	H2O		90 %
8	D2O		10 %

6 3D HNHA

Instrument

Model Bruker AVANCE (600 MHz)

Sample #1

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Concentration
1	Dendroaspin	3.18 (±0.1) mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 100 % D2O

#	Name	Isotope labeling	Type	Concentration
4	Dendroaspin			3.18 (±0.1) mM
5	D2O			100 %

Sample #3

Temperature 300 (±0.01) K, pH 1.2 (±0.05), Details 90 % H2O, 10 % D2O

#	Name	Isotope labeling	Concentration
6	Dendroaspin	[U-98% 15N]	1.92 (±0.01) mM
7	H2O		90 %
8	D2O		10 %

nullKeywords dendroaspin, disintegrin, integrin, snake toxin, three-fingered fold

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Found 1 Document (1.544 seconds)

BMRB: 6915

Sample

Related entities 1. Dendroaspin monomer, : 1 : 2 : 143 entities Detail

Experiments performed 6 experiments Detail

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