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BMRB: 25636

2N37

Solution structure of AVR-Pia

Authors

Ose, T., Oikawa, A., Nakamura, Y., Maenaka, K., Higuchi, Y., Satoh, Y., Fujiwara, S., Demura, M., Sone, T.

Assembly

AVR-Pia monomer

Entity

1. AVR-Pia monomer (polymer, Thiol state: all disulfide bound), 66 monomers, 7382.368 Da Detail

APARFCVYYD GHLPATRVLL MYVRIGTTAT ITARGHEFEV EAKDQNCKVI LTNGKQAPDW LAAEPY

Formula weight

7382.368 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS47:SG

Source organism

Pyricularia oryzae

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.1 %, Completeness (bb): 85.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.1 % (653 of 758)	98.7 % (384 of 389)	68.9 % (208 of 302)	91.0 % (61 of 67)
Backbone	85.3 % (331 of 388)	100.0 % (132 of 132)	71.1 % (138 of 194)	98.4 % (61 of 62)
Sidechain	88.9 % (384 of 432)	98.1 % (252 of 257)	77.6 % (132 of 170)	0.0 % (0 of 5)
Aromatic	48.6 % (35 of 72)	97.2 % (35 of 36)	0.0 % (0 of 35)	0.0 % (0 of 1)
Methyl	100.0 % (82 of 82)	100.0 % (41 of 41)	100.0 % (41 of 41)

1. entity

APARFCVYYD GHLPATRVLL MYVRIGTTAT ITARGHEFEV EAKDQNCKVI LTNGKQAPDW LAAEPY

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	AVR-Pia	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	20 mM
4	D2O	natural abundance	10 %
5	H2O	natural abundance	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	AVR-Pia	natural abundance	1 mM
7	sodium phosphate	natural abundance	10 mM
8	sodium chloride	natural abundance	20 mM
9	D2O	natural abundance	10 %
10	H2O	natural abundance	90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.37 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.37 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N37, Strand ID: A Detail

Heteronucl. T₁

61 T₁ values in 1 lists
Coherence Iz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 308 K, pH 6.5 Detail

Heteronucl. T₂

61 T₂ values in 1 lists
Coherence I(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 308 K, pH 6.5 Detail

Heteronucl. NOE

61 NOE values in 1 lists
Value type peak height, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 308 K, pH 6.5 Detail

Heteronucl. T₁/T₂

61 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 308 K, pH 6.5 Detail

Release date

2015-10-11

Citation

Solution structure of an avirulence protein, AVR-Pia, from Magnaporthe oryzae
Ose, T., Oikawa, A., Nakamura, Y., Maenaka, K., Higuchi, Y., Satoh, Y., Fujiwara, S., Demura, M., Sone, T., Kamiya, M.
J. Biomol. NMR (2015), 63, 229-235, PubMed 26362280 , DOI 10.1007/s10858-015-9979-7 , Abstract

Related entities 1. AVR-Pia monomer, : 2 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC