BMRBj - BMREntryMaster

Found 1 Document (1.351 seconds)

BMRB: 5112

1JLP

High-resolution Structures for the Psi-conotoxins Indicate Differences in Disulfide Bridge Dynamics

Authors

Van Wagoner, R.M., Ireland, C.M.

Assembly

PSI-CONOTOXIN PIIIF

Entity

1. PSI-CONOTOXIN PIIIF (polymer, Thiol state: all disulfide bound), 25 monomers, 2671.131 Da Detail

GXXCCLYGSC RXFXGCYNAL CCRKX

Formula weight

2671.131 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS16:SG
2	disulfide	sing	1:CYS5:SG	1:CYS21:SG
3	disulfide	sing	1:CYS10:SG	1:CYS22:SG

Source organism

Conus purpurascens

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 80.0 %, Completeness: 95.6 %, Completeness (bb): 95.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	95.6 % (108 of 113)	95.6 % (108 of 113)
Backbone	95.3 % (41 of 43)	95.3 % (41 of 43)
Sidechain	95.7 % (67 of 70)	95.7 % (67 of 70)
Aromatic	100.0 % (13 of 13)	100.0 % (13 of 13)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. psi-conotoxin

GXXCCLYGSC RXFXGCYNAL CCRKX

Show sample condition

Sample

Pressure 1 atm, Temperature 277 K, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Protein Blocks Logo

Calculated from 17 models in PDB: 1JLP, Strand ID: A Detail

Release date

2001-08-14

Citation

An improved solution structure for psi-conotoxin PiiiE
Van Wagoner, R.M., Ireland, C.M.
Biochemistry (2003), 42, 6347-6352, PubMed 12767215 , DOI 10.1021/bi027274e , Abstract

Related entities 1. PSI-CONOTOXIN PIIIF, : 1 : 4 entities Detail

Experiments performed 7 experiments Detail

1 2D NOESY

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, pH 3.5

#	Name	Concentration
5	psi-conotoxin	12 mM
6	tetra-TFA salt	12 mM
7	D2O	100 %

Sample #3

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
8	psi-conotoxin	[U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22	14 mM
9	tetra-TFA salt		12 mM
10	H2O		90 %
11	D2O		10 %

Sample #4

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
12	psi-conotoxin	[U-13CB]-Cys4	16 mM
13	tetra-TFA salt		12 mM
14	H2O		90 %
15	D2O		10 %

Sample #5

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
16	psi-conotoxin	[U-13CB]-Cys4	16 mM
17	tetra-TFA salt		12 mM
18	D2O		100 %

2 DQF-COSY

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, pH 3.5

#	Name	Concentration
5	psi-conotoxin	12 mM
6	tetra-TFA salt	12 mM
7	D2O	100 %

Sample #3

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
8	psi-conotoxin	[U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22	14 mM
9	tetra-TFA salt		12 mM
10	H2O		90 %
11	D2O		10 %

Sample #4

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
12	psi-conotoxin	[U-13CB]-Cys4	16 mM
13	tetra-TFA salt		12 mM
14	H2O		90 %
15	D2O		10 %

Sample #5

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
16	psi-conotoxin	[U-13CB]-Cys4	16 mM
17	tetra-TFA salt		12 mM
18	D2O		100 %

3 PE-COSY

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, pH 3.5

#	Name	Concentration
5	psi-conotoxin	12 mM
6	tetra-TFA salt	12 mM
7	D2O	100 %

Sample #3

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
8	psi-conotoxin	[U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22	14 mM
9	tetra-TFA salt		12 mM
10	H2O		90 %
11	D2O		10 %

Sample #4

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
12	psi-conotoxin	[U-13CB]-Cys4	16 mM
13	tetra-TFA salt		12 mM
14	H2O		90 %
15	D2O		10 %

Sample #5

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
16	psi-conotoxin	[U-13CB]-Cys4	16 mM
17	tetra-TFA salt		12 mM
18	D2O		100 %

4 13C-selected 2D NOESY

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, pH 3.5

#	Name	Concentration
5	psi-conotoxin	12 mM
6	tetra-TFA salt	12 mM
7	D2O	100 %

Sample #3

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
8	psi-conotoxin	[U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22	14 mM
9	tetra-TFA salt		12 mM
10	H2O		90 %
11	D2O		10 %

Sample #4

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
12	psi-conotoxin	[U-13CB]-Cys4	16 mM
13	tetra-TFA salt		12 mM
14	H2O		90 %
15	D2O		10 %

Sample #5

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
16	psi-conotoxin	[U-13CB]-Cys4	16 mM
17	tetra-TFA salt		12 mM
18	D2O		100 %

5 Double half-filtered 2D NOESY

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, pH 3.5

#	Name	Concentration
5	psi-conotoxin	12 mM
6	tetra-TFA salt	12 mM
7	D2O	100 %

Sample #3

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
8	psi-conotoxin	[U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22	14 mM
9	tetra-TFA salt		12 mM
10	H2O		90 %
11	D2O		10 %

Sample #4

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
12	psi-conotoxin	[U-13CB]-Cys4	16 mM
13	tetra-TFA salt		12 mM
14	H2O		90 %
15	D2O		10 %

Sample #5

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
16	psi-conotoxin	[U-13CB]-Cys4	16 mM
17	tetra-TFA salt		12 mM
18	D2O		100 %

6 Double half-filtered 2D PE-COSY

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, pH 3.5

#	Name	Concentration
5	psi-conotoxin	12 mM
6	tetra-TFA salt	12 mM
7	D2O	100 %

Sample #3

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
8	psi-conotoxin	[U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22	14 mM
9	tetra-TFA salt		12 mM
10	H2O		90 %
11	D2O		10 %

Sample #4

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
12	psi-conotoxin	[U-13CB]-Cys4	16 mM
13	tetra-TFA salt		12 mM
14	H2O		90 %
15	D2O		10 %

Sample #5

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
16	psi-conotoxin	[U-13CB]-Cys4	16 mM
17	tetra-TFA salt		12 mM
18	D2O		100 %

7 13C-selected 1D 1H NMR

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, pH 3.5

#	Name	Concentration
1	psi-conotoxin	12 mM
2	tetra-TFA salt	12 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, pH 3.5

#	Name	Concentration
5	psi-conotoxin	12 mM
6	tetra-TFA salt	12 mM
7	D2O	100 %

Sample #3

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
8	psi-conotoxin	[U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22	14 mM
9	tetra-TFA salt		12 mM
10	H2O		90 %
11	D2O		10 %

Sample #4

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
12	psi-conotoxin	[U-13CB]-Cys4	16 mM
13	tetra-TFA salt		12 mM
14	H2O		90 %
15	D2O		10 %

Sample #5

Pressure 1 atm, pH 3.5, Details The cysteine used was 13C-labeled only at position 3 (i.e. the beta carbon).

#	Name	Isotope labeling	Concentration
16	psi-conotoxin	[U-13CB]-Cys4	16 mM
17	tetra-TFA salt		12 mM
18	D2O		100 %

nullKeywords amidated C-terminus, multiple disulfide bonds

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Found 1 Document (1.351 seconds)

BMRB: 5112

Sample

Related entities 1. PSI-CONOTOXIN PIIIF, : 1 : 4 entities Detail

Experiments performed 7 experiments Detail

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