BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	69.5 % (623 of 897)	74.6 % (358 of 480)	59.5 % (207 of 348)	84.1 % (58 of 69)
Backbone	72.6 % (302 of 416)	82.4 % (117 of 142)	62.1 % (128 of 206)	83.8 % (57 of 68)
Sidechain	68.7 % (376 of 547)	71.3 % (241 of 338)	64.4 % (134 of 208)	100.0 % (1 of 1)
Aromatic	53.8 % (28 of 52)	84.6 % (22 of 26)	23.1 % (6 of 26)
Methyl	80.0 % (64 of 80)	82.5 % (33 of 40)	77.5 % (31 of 40)

1. entity

TSSELPELLR KRERKTGDLP KFIEETEKKR IIEALEKTGY VKSRAAKLLG YTLRQLDYRI KKYGIELKKF

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
5	Nlh2	[U-100% 13C; U-100% 15N]		1 mM
6	D2O	natural abundance		100 %

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: -1.33 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: -1.33 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: 0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M8G, Strand ID: X Detail

Release date

2013-08-25

Citation

Structure, function, and tethering of DNA-binding domains in σ(54) transcriptional activators
Vidangos, N., Maris, A.E., Young, A., Hong, E., Pelton, J.G., Batchelor, J.D., Wemmer, D.E.
Biopolymers (2013), 99, 1082-1096, PubMed 23818155 , DOI 10.1002/bip.22333 , Abstract

Related entities 1. Nlh2, : 1 : 11 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

2 2D 1H-13C HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

3 3D HNCA

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

4 3D HN(CO)CA

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

5 3D HNCACB

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

6 3D CBCA(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

7 3D C(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

8 3D H(CCO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

9 3D HBHA(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

10 3D HCCH-TOCSY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
5	Nlh2	[U-100% 13C; U-100% 15N]		1 mM
6	D2O	natural abundance		100 %

11 3D 1H-15N NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	Nlh2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	[U-100% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

12 3D 1H-13C NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
5	Nlh2	[U-100% 13C; U-100% 15N]		1 mM
6	D2O	natural abundance		100 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19251_2m8g.nef
Input source #2: Coordindates	2m8g.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): X vs Auth_asym_ID (model): X

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
X	X	70	0	0	100.0

Content subtype: combined_19251_2m8g.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	594		88.6 (chain: X, length: 70)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	1620 (1)	noe	81.4 (chain: X, length: 70)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	72 (1)	hbond	47.1 (chain: X, length: 70)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_4	OK	86 (86)	.	74.3 (chain: X, length: 70)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: X, Chain length: 70, Sequence coverage: 88.6%
- Total number of assignments
  - ¹H chemical shifts: 349
  - ¹³C chemical shifts: 187
  - ¹⁵N chemical shifts: 58
- Completeness of assignments
  - Entity_assemble_ID: X
- Peptide bond of PRO
- 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: X

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	480	349	72.7
¹³C chemical shifts	348	187	53.7
¹⁵N chemical shifts	76	58	76.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	142	116	81.7
¹³C chemical shifts	140	61	43.6
¹⁵N chemical shifts	68	57	83.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	338	233	68.9
¹³C chemical shifts	208	126	60.6
¹⁵N chemical shifts	8	1	12.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	32	80.0
¹³C chemical shifts	40	31	77.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	22	84.6
¹³C chemical shifts	26	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: X, Chain length: 70, Sequence coverage: 81.4%
- Total number of restraints: 1619
- Weight of restraints: 1.0 (1619)
- Potential type of restraints: upper-bound-parabolic (1619)
- Range of distance target values: 2.39, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: X
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_3
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: X, Chain length: 70, Sequence coverage: 47.1%
  - Total number of restraints: 72
  - Weight of restraints: 1.0 (72)
  - Potential type of restraints: upper-bound-parabolic (72)
  - Range of distance target values: 1.8, 3.0 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: X
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: X, Chain length: 70, Sequence coverage: 74.3%
- Total number of restraints: 86
- Total number of restraints per polymer type: 86
- Weight of restraints: 1.0 (86)
- Potential type of restraints: square-well-parabolic (86)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: X

Keywords 54 transcriptional activators, DNA-binding domains, NifA like homolog - 2(NIh-2)

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Found 1 Document (0.684 seconds)

BMRB: 19251

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Nlh2, : 1 : 11 entities Detail

Experiments performed 12 experiments Detail

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NMR combined restraints 5 contents Detail