BMRBj - BMREntryMaster

Found 1 Document (0.692 seconds)

BMRB: 30033

5IPO

Solution Structure of Hge36: Scorpine-like Peptide from Hadrurus Gertschi

Authors

Flores-Solis, D., Rodriguez De La Vega, R., del Rio-Portilla, F.

Assembly

Hge-scorpine

Entity

1. Hge-scorpine (polymer), 48 monomers, 5298.174 Da Detail

VHKMAKNQFG CFANVDVKGD CKRHCKAEDK EGICHGTKCK CGVPISYL

Formula weight

5298.174 Da

Source organism

Hadrurus gertschi

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.9 %, Completeness (bb): 99.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.9 % (471 of 548)	97.9 % (282 of 288)	66.2 % (139 of 210)	100.0 % (50 of 50)
Backbone	99.7 % (285 of 286)	99.0 % (99 of 100)	100.0 % (139 of 139)	100.0 % (47 of 47)
Sidechain	75.1 % (229 of 305)	97.3 % (183 of 188)	37.7 % (43 of 114)	100.0 % (3 of 3)
Aromatic	40.0 % (16 of 40)	80.0 % (16 of 20)	0.0 % (0 of 20)
Methyl	58.3 % (21 of 36)	100.0 % (18 of 18)	16.7 % (3 of 18)

1. entity 1

VHKMAKNQFG CFANVDVKGD CKRHCKAEDK EGICHGTKCK CGVPISYL

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 585 mmHg, Temperature 298 K, pH 3.0, Details 3.0 mM Hge36, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Hge36	natural abundance		3.0 (±0.1) mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 585 mmHg, Temperature 298 K, pH 3.0, Details 3.0 mM [U-13C; U-15N] Hge36, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Hge36	[U-13C; U-15N]		3.0 (±0.1) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	na	direct	1.0

Referencing offset: 0.5 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	na	direct	1.0

Referencing offset: 0.5 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	na	direct	1.0

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	na	direct	1.0

Referencing offset: 0.31 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5IPO, Strand ID: A Detail

Release date

2016-06-23

Citation

Solution structure and antiparasitic activity of scorpine-like peptides from Hoffmannihadrurus gertschi
Flores-Solis, D., Toledano-Magana, Y., Rodriguez-Lima, O., Rodriguez De La Vega, R., Cano-Sanchez, P., del Rio-Portilla, F.
FEBS Lett. (2016), 590, 2286-2296, PubMed 27314815 , DOI 10.1002/1873-3468.12255 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 30089 released on 2016-06-23
Title Solution Structure of Hge36: Scorpine-like Peptide from Hadrurus Gertschi

Related entities 1. Hge-scorpine, : 1 : 1 : 1 : 25 entities Detail

Experiments performed 14 experiments Detail

1 2D DQF-COSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 585 mmHg, Temperature 298 K, pH 3.0, Details 3.0 mM Hge36, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Hge36	natural abundance		3.0 (±0.1) mM

2 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 585 mmHg, Temperature 298 K, pH 3.0, Details 3.0 mM Hge36, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Hge36	natural abundance		3.0 (±0.1) mM

3 2D 1H-1H TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 585 mmHg, Temperature 298 K, pH 3.0, Details 3.0 mM Hge36, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Hge36	natural abundance		3.0 (±0.1) mM

4 2D 1H-15N HSQC