BMRBj - BMREntryMaster

Found 1 Document (0.836 seconds)

BMRB: 30418

6CJZ

Solution Structure of Amebosin

Authors

Mendoza, A., Flores-Solis, D., Del Rio Portilla, F., Brieba de Castro, L.

Assembly

Amoebiasin-1

Entity

1. Amoebiasin-1 (polymer, Thiol state: not present), 105 monomers, 11366.45 Da Detail

GPHMSLTEDN NNTTITIAKG ENKEIILHGN PTTGYSWVVD SSEGLSNTVE YVADQHAPGI SGSGGKYHIK ITGTQTGEGK IVLVYRRPWA PNANDRTFTL KVNVQ

Formula weight

11366.45 Da

Source organism

Entamoeba histolytica

Exptl. method

solution NMR

Refine. method

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 76.0 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.0 % (889 of 1170)	80.4 % (484 of 602)	65.4 % (297 of 454)	94.7 % (108 of 114)
Backbone	96.0 % (595 of 620)	94.0 % (204 of 217)	97.0 % (294 of 303)	97.0 % (97 of 100)
Sidechain	59.7 % (384 of 643)	72.7 % (280 of 385)	38.1 % (93 of 244)	78.6 % (11 of 14)
Aromatic	29.3 % (24 of 82)	53.7 % (22 of 41)	0.0 % (0 of 39)	100.0 % (2 of 2)
Methyl	50.8 % (60 of 118)	88.1 % (52 of 59)	13.6 % (8 of 59)

1. entity 1

GPHMSLTEDN NNTTITIAKG ENKEIILHGN PTTGYSWVVD SSEGLSNTVE YVADQHAPGI SGSGGKYHIK ITGTQTGEGK IVLVYRRPWA PNANDRTFTL KVNVQ

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM Amebosin, 95% H2O/5% D2O

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

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-99% 15N] Amebosin, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
2	Amebosin	[U-99% 15N]		1 (±0.1) mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-99% 13C; U-99% 15N] Amebosin, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
3	Amebosin	[U-99% 13C; U-99% 15N]		1 (±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	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: -0.06 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: -0.06 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 2 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: 0.51 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6CJZ, Strand ID: A Detail

Release date

2018-03-22

Citation

Solution structure of the inhibitor of cysteine proteases 1 from Entamoeba histolytica reveals a possible auto regulatory mechanism
Flores-Solis, D., Mendoza, A., Renteria-Gonzalez, I., Casados-Vazquez, L.E., Trasvina-Arenas, C.H., Jimenez-Sandoval, P., Benitez-Cardoza, C.G., Del Rio-Portilla, F., Brieba, L.G.
Biochim. Biophys. Acta. Proteins Proteom. (2020), 1868, 140512-140512, PubMed 32731033 , DOI 10.1016/j.bbapap.2020.140512 , Abstract

Related entities 1. Amoebiasin-1, : 1 : 1 : 19 entities Detail

Interaction partners 1. Amoebiasin-1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 13 experiments Detail

1 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz 3mm triple nucleus

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM Amebosin, 95% H2O/5% D2O

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

2 2D 1H-1H TOCSY

Instrument

Varian INOVA - 500 MHz 3mm triple nucleus

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM Amebosin, 95% H2O/5% D2O

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

3 2D DQF-COSY

Instrument

Varian INOVA - 500 MHz 3mm triple nucleus

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM Amebosin, 95% H2O/5% D2O

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

4 2D 1H-15N HSQC