BMRBj - BMREntryMaster

Found 1 Document (0.809 seconds)

BMRB: 16468

2KNI

High-resolution solution structure of the ASIC1a blocker PcTX1

Authors

King, G.F., Mobli, M., Saez, N.J.

Assembly

PcTx1

Entity

1. PcTx1 (polymer, Thiol state: all disulfide bound), 41 monomers, 4782.508 Da Detail

SEDCIPKWKG CVNRHGDCCE GLECWKRRRS FEVCVPKTPK T

Formula weight

4782.508 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS19:SG
2	disulfide	sing	1:CYS11:SG	1:CYS24:SG
3	disulfide	sing	1:CYS18:SG	1:CYS34:SG

Source organism

Psalmopoeus cambridgei

Exptl. method

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.8 %, Completeness (bb): 95.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.8 % (448 of 483)	96.1 % (248 of 258)	87.5 % (161 of 184)	95.1 % (39 of 41)
Backbone	95.8 % (230 of 240)	97.6 % (80 of 82)	95.0 % (114 of 120)	94.7 % (36 of 38)
Sidechain	90.7 % (255 of 281)	95.5 % (168 of 176)	82.4 % (84 of 102)	100.0 % (3 of 3)
Aromatic	39.5 % (15 of 38)	68.4 % (13 of 19)	0.0 % (0 of 17)	100.0 % (2 of 2)
Methyl	100.0 % (24 of 24)	100.0 % (12 of 12)	100.0 % (12 of 12)

1. PcTx1

SEDCIPKWKG CVNRHGDCCE GLECWKRRRS FEVCVPKTPK T

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0.

#	Name	Isotope labeling	Type	Concentration
5	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
6	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
7	D2O	natural abundance		100 %

Protein Blocks Logo

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

Release date

2012-08-02

Citation

Recombinant production and solution structure of PcTx1, the specific peptide inhibitor of ASIC1a proton-gated cation channels
Escoubas, P.
Protein Sci. (2003), 12, 1332-1343, PubMed 12824480 , DOI 10.1110/ps.0307003 , Abstract

Related entities 1. PcTx1, : 1 : 5 : 24 entities Detail

Interaction partners 1. PcTx1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

2 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

4 3D HNCO

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

5 3D C(CO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

6 3D H(CCO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

7 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

8 3D HNHB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

9 4D HC(CO)NH-TOCSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
2	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
3	D2O	natural abundance		7 %
4	H2O	natural abundance		93 %

10 3D 1H-13C NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.3 mM protein sample dissolved in 10 mM sodium phosphate buffer, pH 6.0.

#	Name	Isotope labeling	Type	Concentration
5	PcTx1	[U-99% 13C; U-99% 15N]		0.3 mM
6	sodium phosphate buffer, pH 6.0	natural abundance		10 mM
7	D2O	natural abundance		100 %

nullKeywords cystine knot, peptide toxin, pi-theraphotoxin-Pc1a, Psalmotoxin 1, spider toxin