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BMRB: 25460

2MYW

Solution structure of Fungus protein B9WZW9_MAGOR

Authors

Assembly

Fungus protein B9WZW9 MAGOR

Entity

1. Fungus protein B9WZW9 MAGOR (polymer), 97 monomers, 10860.00 Da Detail

APQDNTSMGS SHHHHHHSSG RENLYFQGHM AAPARFCVYY DGHLPATRVL LMYVRIGTTA TITARGHEFE VEAKDQNCKV ILTNGKQAPD WLAAEPY

Formula weight

10860.0 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS37:SG	1:CYS78:SG

Source organism

Pyricularia oryzae

Exptl. method

Refine. method

torsion angle dynamics, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.5 %, Completeness: 68.7 %, Completeness (bb): 81.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.7 % (751 of 1093)	76.3 % (429 of 562)	55.8 % (240 of 430)	81.2 % (82 of 101)
Backbone	81.3 % (465 of 572)	81.6 % (160 of 196)	81.0 % (230 of 284)	81.5 % (75 of 92)
Sidechain	58.8 % (359 of 611)	73.5 % (269 of 366)	35.2 % (83 of 236)	77.8 % (7 of 9)
Aromatic	24.6 % (29 of 118)	44.1 % (26 of 59)	3.4 % (2 of 58)	100.0 % (1 of 1)
Methyl	60.9 % (56 of 92)	95.7 % (44 of 46)	26.1 % (12 of 46)

1. AVR-Pia

APQDNTSMGS SHHHHHHSSG RENLYFQGHM AAPARFCVYY DGHLPATRVL LMYVRIGTTA TITARGHEFE VEAKDQNCKV ILTNGKQAPD WLAAEPY

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
6	AVR-Pia	[U-15N]		1 (±0.1) mM
7	D2O	natural abundance		10 %
8	H2O	natural abundance		90 %
9	potassium-sodium phosphate	natural abundance		20 mM
10	NaCl	natural abundance		150 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
11	AVR-Pia	natural abundance		1 (±0.1) mM
12	D2O	natural abundance		100 %
13	potassium-sodium phosphate	natural abundance		20 mM
14	NaCl	natural abundance		150 mM

LACS Plot; CA

Referencing offset: 0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.16 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 3 Detail

LACS Plot; CO

Referencing offset: 0.18 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2015-10-11

Citation

Structure Analysis Uncovers a Highly Diverse but Structurally Conserved Effector Family in Phytopathogenic Fungi
de Guillen, K., Ortiz-Vallejo, D., Gracy, J., Fournier, E., Kroj, T., Padilla, A.
PLoS Pathog. (2015), 11, e1005228-e1005228, PubMed 26506000 , DOI 10.1371/journal.ppat.1005228 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 25459 released on 2015-10-11
Title Solution structure of Fungus protein Q8J180_MAGGR

Related entities 1. Fungus protein B9WZW9 MAGOR, : 1 : 1 : 1 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
6	AVR-Pia	[U-15N]		1 (±0.1) mM
7	D2O	natural abundance		10 %
8	H2O	natural abundance		90 %
9	potassium-sodium phosphate	natural abundance		20 mM
10	NaCl	natural abundance		150 mM

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

3 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

4 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

5 3D HN(COCA)CB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

6 3D HN(CO)CA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

7 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

9 3D 1H-15N TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
1	AVR-Pia	[U-13C; U-15N]		1 (±0.1) mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %
4	potassium-sodium phosphate	natural abundance		20 mM
5	NaCl	natural abundance		150 mM

10 2D 1H-1H NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
11	AVR-Pia	natural abundance		1 (±0.1) mM
12	D2O	natural abundance		100 %
13	potassium-sodium phosphate	natural abundance		20 mM
14	NaCl	natural abundance		150 mM

11 2D 1H-1H TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
11	AVR-Pia	natural abundance		1 (±0.1) mM
12	D2O	natural abundance		100 %
13	potassium-sodium phosphate	natural abundance		20 mM
14	NaCl	natural abundance		150 mM

12 2D DQF-COSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 5.4

#	Name	Isotope labeling	Type	Concentration
11	AVR-Pia	natural abundance		1 (±0.1) mM
12	D2O	natural abundance		100 %
13	potassium-sodium phosphate	natural abundance		20 mM
14	NaCl	natural abundance		150 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25460_2myw.nef
Input source #2: Coordindates	2myw.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:25:CYS:SG	A:66:CYS:SG	oxidized, CA 54.2, CB 39.74 ppm	oxidized, CA 55.13, CB 36.16 ppm	2.021

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------------------10--------20--------30--------40--------50--------60--------70--------80-----
APQDNTSMGSSHHHHHHSSGRENLYFQGHMAAPARFCVYYDGHLPATRVLLMYVRIGTTATITARGHEFEVEAKDQNCKVILTNGKQAPDWLAAEPY
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
APQDNTSMGSSHHHHHHSSGRENLYFQGHMAAPARFCVYYDGHLPATRVLLMYVRIGTTATITARGHEFEVEAKDQNCKVILTNGKQAPDWLAAEPY
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	97	0	0	100.0

Content subtype: combined_25460_2myw.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	1		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	727		80.4 (chain: A, length: 97)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1753 (1)	noe	81.4 (chain: A, length: 97)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	40 (1)	hbond	28.9 (chain: A, length: 97)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	90 (90)	.	58.8 (chain: A, length: 97)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 80.4%
- Total number of assignments
  - ¹H chemical shifts: 418
  - ¹³C chemical shifts: 228
  - ¹⁵N chemical shifts: 81
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 81.4%
- Total number of restraints: 1753
- Weight of restraints: 1.0 (1753)
- Potential type of restraints: square-well-parabolic (1753)
- Range of distance target values: 2.0, 5.45 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 28.9%
  - Total number of restraints: 40
  - Weight of restraints: 1.0 (40)
  - Potential type of restraints: square-well-parabolic (40)
  - Range of distance target values: 1.9, 2.4 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 58.8%
- Total number of restraints: 90
- Total number of restraints per polymer type: 90
- Weight of restraints: 1.0 (90)
- Potential type of restraints: square-well-parabolic (90)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords PROTEIN