BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	68.1 % (752 of 1104)	74.7 % (426 of 570)	55.5 % (238 of 429)	83.8 % (88 of 105)
Backbone	81.9 % (475 of 580)	81.7 % (161 of 197)	81.3 % (235 of 289)	84.0 % (79 of 94)
Sidechain	57.2 % (353 of 617)	71.0 % (265 of 373)	33.9 % (79 of 233)	81.8 % (9 of 11)
Aromatic	22.1 % (27 of 122)	42.6 % (26 of 61)	0.0 % (0 of 60)	100.0 % (1 of 1)
Methyl	51.3 % (39 of 76)	89.5 % (34 of 38)	13.2 % (5 of 38)

1. AVR1-CO39

APQDNTSMGS SHHHHHHSSG RENLYFQGHM AWKDCIIQRY KDGDVNNIYT ANRNEEITIE EYKVFVNEAC HPYPVILPDR SVLSGDFTSA YADDDESC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
7	AVR1-CO39	[U-15N]	1 (±0.1) mM
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %
10	sodium phosphate	natural abundance	20 mM
11	NaCl	natural abundance	150 mM
12	DTT	natural abundance	1 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
13	AVR1-CO39	natural abundance	1 (±0.1) mM
14	D2O	natural abundance	100 %
15	sodium phosphate	natural abundance	20 mM
16	NaCl	natural abundance	150 mM
17	DTT	natural abundance	1 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
18	AVR1-CO39	natural abundance	1 (±0.1) mM
19	D2O	natural abundance	10 %
20	H2O	natural abundance	90 %
21	sodium phosphate	natural abundance	20 mM
22	NaCl	natural abundance	150 mM
23	DTT	natural abundance	1 mM

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: -0.07 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: -0.07 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: 4 Detail

LACS Plot; CO

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: 0.18 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MYV, 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: 25460 released on 2015-10-11
Title Solution structure of Fungus protein B9WZW9_MAGOR

Related entities 1. Fungus protein Q8J180 MAGGR, : 1 : 2 entities Detail

Experiments performed 14 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 6.8

#	Name	Isotope labeling	Concentration
7	AVR1-CO39	[U-15N]	1 (±0.1) mM
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %
10	sodium phosphate	natural abundance	20 mM
11	NaCl	natural abundance	150 mM
12	DTT	natural abundance	1 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 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

3 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

4 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

5 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

6 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 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

7 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 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

8 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 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

9 2D 1H-1H NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
18	AVR1-CO39	natural abundance	1 (±0.1) mM
19	D2O	natural abundance	10 %
20	H2O	natural abundance	90 %
21	sodium phosphate	natural abundance	20 mM
22	NaCl	natural abundance	150 mM
23	DTT	natural abundance	1 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 6.8

#	Name	Isotope labeling	Concentration
13	AVR1-CO39	natural abundance	1 (±0.1) mM
14	D2O	natural abundance	100 %
15	sodium phosphate	natural abundance	20 mM
16	NaCl	natural abundance	150 mM
17	DTT	natural abundance	1 mM

11 2D 1H-1H TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
18	AVR1-CO39	natural abundance	1 (±0.1) mM
19	D2O	natural abundance	10 %
20	H2O	natural abundance	90 %
21	sodium phosphate	natural abundance	20 mM
22	NaCl	natural abundance	150 mM
23	DTT	natural abundance	1 mM

12 2D DQF-COSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
18	AVR1-CO39	natural abundance	1 (±0.1) mM
19	D2O	natural abundance	10 %
20	H2O	natural abundance	90 %
21	sodium phosphate	natural abundance	20 mM
22	NaCl	natural abundance	150 mM
23	DTT	natural abundance	1 mM

13 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

14 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 6.8

#	Name	Isotope labeling	Concentration
1	AVR1-CO39	[U-13C; U-15N]	1 (±0.1) mM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	sodium phosphate	natural abundance	20 mM
5	NaCl	natural abundance	150 mM
6	DTT	natural abundance	1 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25459_2myv.nef
Input source #2: Coordindates	2myv.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:26:CYS:SG	A:61:CYS:SG	oxidized, CA 52.18, CB 38.46 ppm	reduced, CA 54.72, CB 31.33 ppm	2.018

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---------
APQDNTSMGSSHHHHHHSSGRENLYFQGHMAWKDCIIQRYKDGDVNNIYTANRNEEITIEEYKVFVNEACHPYPVILPDRSVLSGDFTSAYADDDESC
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
APQDNTSMGSSHHHHHHSSGRENLYFQGHMAWKDCIIQRYKDGDVNNIYTANRNEEITIEEYKVFVNEACHPYPVILPDRSVLSGDFTSAYADDDESC
--------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	98	0	0	100.0

Content subtype: combined_25459_2myv.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	747		79.6 (chain: A, length: 98)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1505 (1)	noe	78.6 (chain: A, length: 98)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	30 (1)	hbond	22.4 (chain: A, length: 98)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	72 (72)	.	53.1 (chain: A, length: 98)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 98, Sequence coverage: 79.6%
- Total number of assignments
  - ¹H chemical shifts: 423
  - ¹³C chemical shifts: 238
  - ¹⁵N chemical shifts: 86
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
14	ASN	CG	176.86
18	GLN	CD	180.33
29	GLN	CD	179.15
37	ASN	CG	175.54
38	ASN	CG	177.29
43	ASN	CG	176.29
45	ASN	CG	178.08
58	ASN	CG	177.55
62	HIS	HD1	7.108

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	570	422	74.0
¹³C chemical shifts	429	230	53.6
¹⁵N chemical shifts	109	86	78.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	197	157	79.7
¹³C chemical shifts	196	156	79.6
¹⁵N chemical shifts	94	75	79.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	373	265	71.0
¹³C chemical shifts	233	74	31.8
¹⁵N chemical shifts	15	11	73.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	35	87.5
¹³C chemical shifts	40	5	12.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	26	42.6
¹³C chemical shifts	60	0	0.0
¹⁵N chemical shifts	1	1	100.0

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: 98, Sequence coverage: 78.6%
- Total number of restraints: 1505
- Weight of restraints: 1.0 (1505)
- Potential type of restraints: square-well-parabolic (1505)
- 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_4
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 98, Sequence coverage: 22.4%
  - Total number of restraints: 30
  - Weight of restraints: 1.0 (30)
  - Potential type of restraints: square-well-parabolic (30)
  - 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_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 98, Sequence coverage: 53.1%
- Total number of restraints: 72
- Total number of restraints per polymer type: 72
- Weight of restraints: 1.0 (72)
- Potential type of restraints: square-well-parabolic (72)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords PROTEIN

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BMRB: 25459

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Fungus protein Q8J180 MAGGR, : 1 : 2 entities Detail

Experiments performed 14 experiments Detail

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NMR combined restraints 5 contents Detail