BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	87.1 % (1160 of 1332)	85.7 % (574 of 670)	88.2 % (473 of 536)	89.7 % (113 of 126)
Backbone	92.3 % (683 of 740)	93.7 % (237 of 253)	91.6 % (336 of 367)	91.7 % (110 of 120)
Sidechain	82.8 % (587 of 709)	80.8 % (337 of 417)	86.4 % (247 of 286)	50.0 % (3 of 6)
Aromatic	65.0 % (39 of 60)	76.7 % (23 of 30)	51.7 % (15 of 29)	100.0 % (1 of 1)
Methyl	95.9 % (186 of 194)	96.9 % (94 of 97)	94.8 % (92 of 97)

1. entity 1

MIRTILAIDD SATMRALLHA TLAQAGYEVT VAADGEAGFD LAATTAYDLV LTDQNMPRKS GLELIAALRQ LSAYADTPIL VLTTEGSDAF KAAARDAGAT GWIEKPIDPG VLVELVATLS EPAAN

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 100% D2O

#	Name	Isotope labeling	Type	Concentration
3	HEPES	natural abundance		25 mM
4	response regulator protein	[U-13C; U-15N]		0.9 mM

LACS Plot; CA

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

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.08 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5T3Y, Strand ID: A Detail

Release date

2016-09-08

Citation

Solution structure of response regulator protein from Burkholderia multivorans
Yang, F., Lim, Y., Barnwal, R., Varani, G.

Related entities 1. Two-component system response regulator, : 1 : 298 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 100% D2O

#	Name	Isotope labeling	Type	Concentration
3	HEPES	natural abundance		25 mM
4	response regulator protein	[U-13C; U-15N]		0.9 mM

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

5 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

6 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 100% D2O

#	Name	Isotope labeling	Type	Concentration
3	HEPES	natural abundance		25 mM
4	response regulator protein	[U-13C; U-15N]		0.9 mM

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

11 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		25 mM
2	response regulator protein	[U-13C; U-15N]		0.9 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30161_5t3y.nef
Input source #2: Coordindates	5t3y.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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--------90-------100
MIRTILAIDDSATMRALLHATLAQAGYEVTVAADGEAGFDLAATTAYDLVLTDQNMPRKSGLELIAALRQLSAYADTPILVLTTEGSDAFKAAARDAGAT
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MIRTILAIDDSATMRALLHATLAQAGYEVTVAADGEAGFDLAATTAYDLVLTDQNMPRKSGLELIAALRQLSAYADTPILVLTTEGSDAFKAAARDAGAT

-------110-------120-----
GWIEKPIDPGVLVELVATLSEPAAN
|||||||||||||||||||||||||
GWIEKPIDPGVLVELVATLSEPAAN

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	125	0	0	100.0

Content subtype: combined_30161_5t3y.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1131		94.4 (chain: A, length: 125)
1	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	2316 (1)	noe	92.8 (chain: A, length: 125)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	146 (146)	.	74.4 (chain: A, length: 125)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 125, Sequence coverage: 94.4%
- Total number of assignments
  - ¹H chemical shifts: 552
  - ¹³C chemical shifts: 468
  - ¹⁵N chemical shifts: 111
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	670	552	82.4
¹³C chemical shifts	536	468	87.3
¹⁵N chemical shifts	131	111	84.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	253	233	92.1
¹³C chemical shifts	250	224	89.6
¹⁵N chemical shifts	120	109	90.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	417	319	76.5
¹³C chemical shifts	286	244	85.3
¹⁵N chemical shifts	11	2	18.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	100	92	92.0
¹³C chemical shifts	100	92	92.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	23	76.7
¹³C chemical shifts	29	15	51.7
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 125, Sequence coverage: 92.8%
- Total number of restraints: 2316
- Weight of restraints: 1.0 (2316)
- Potential type of restraints: upper-bound-parabolic (2316)
- Range of distance target values: 2.53, 5.5 (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

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 125, Sequence coverage: 74.4%
- Total number of restraints: 146
- Total number of restraints per polymer type: 146
- Weight of restraints: 1.0 (146)
- Potential type of restraints: square-well-parabolic (146)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords SIGNALING PROTEIN, SSGCID, Seattle Structural Genomics Center for Infectious Disease, Structural Genomics, response regulator

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Found 1 Document (0.824 seconds)

BMRB: 30161

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Two-component system response regulator, : 1 : 298 entities Detail

Experiments performed 11 experiments Detail

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NMR combined restraints 4 contents Detail