BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	94.5 % (1020 of 1079)	94.4 % (526 of 557)	93.9 % (398 of 424)	98.0 % (96 of 98)
Backbone	96.3 % (549 of 570)	96.4 % (190 of 197)	95.7 % (268 of 280)	97.8 % (91 of 93)
Sidechain	93.0 % (555 of 597)	93.3 % (336 of 360)	92.2 % (214 of 232)	100.0 % (5 of 5)
Aromatic	100.0 % (46 of 46)	100.0 % (23 of 23)	100.0 % (22 of 22)	100.0 % (1 of 1)
Methyl	95.4 % (124 of 130)	96.9 % (63 of 65)	93.8 % (61 of 65)

1. S1F1

GIDPFTESLK EIETRPGSIV RGVVVAIDKD VVLVDAGLKS ESAIPAEQFK NAQGELEIQV GDEVDVALDA VEDGFGETLL SREKAKRHEA WITLEK

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
1	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
2	potassium phosphate	natural abundance	25.0 (±0.0025) mM
3	potassium chloride	natural abundance	200.0 (±0.0025) mM
4	H2O	natural abundance	93 %
5	D2O	[U-100% 2H]	7 %

Sample #2

Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
6	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
7	potassium phosphate	natural abundance	25.0 (±0.0025) mM
8	potassium chloride	natural abundance	200.0 (±0.0025) mM
9	D2O	[U-100% 2H]	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: -0.03 ppm, Outliers: 7 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: -0.03 ppm, Outliers: 7 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: 0.1 ppm, Outliers: 3 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: 0.41 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MFI, Strand ID: A Detail

Release date

2014-04-13

Citation

Resonance assignment of the ribosome binding domain of E. coli ribosomal protein S1
Giraud, P., Crechet, J., Uzan, M., Bontems, F., Sizun, C.
Biomol. NMR Assign. (2015), 9, 107-111, PubMed 24682851 , DOI 10.1007/s12104-014-9554-2 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 19554 released on 2014-04-13
Title Domain 2 of E. coli ribosomal protein S1

Related entities 1. S1F1, : 1 : 6 : 26 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 950 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
1	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
2	potassium phosphate	natural abundance	25.0 (±0.0025) mM
3	potassium chloride	natural abundance	200.0 (±0.0025) mM
4	H2O	natural abundance	93 %
5	D2O	[U-100% 2H]	7 %

2 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
1	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
2	potassium phosphate	natural abundance	25.0 (±0.0025) mM
3	potassium chloride	natural abundance	200.0 (±0.0025) mM
4	H2O	natural abundance	93 %
5	D2O	[U-100% 2H]	7 %

3 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
1	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
2	potassium phosphate	natural abundance	25.0 (±0.0025) mM
3	potassium chloride	natural abundance	200.0 (±0.0025) mM
4	H2O	natural abundance	93 %
5	D2O	[U-100% 2H]	7 %

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
1	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
2	potassium phosphate	natural abundance	25.0 (±0.0025) mM
3	potassium chloride	natural abundance	200.0 (±0.0025) mM
4	H2O	natural abundance	93 %
5	D2O	[U-100% 2H]	7 %

5 3D HCCH-TOCSY

Instrument

Bruker Avance - 950 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
6	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
7	potassium phosphate	natural abundance	25.0 (±0.0025) mM
8	potassium chloride	natural abundance	200.0 (±0.0025) mM
9	D2O	[U-100% 2H]	100 %

6 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
1	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
2	potassium phosphate	natural abundance	25.0 (±0.0025) mM
3	potassium chloride	natural abundance	200.0 (±0.0025) mM
4	H2O	natural abundance	93 %
5	D2O	[U-100% 2H]	7 %

7 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
1	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
2	potassium phosphate	natural abundance	25.0 (±0.0025) mM
3	potassium chloride	natural abundance	200.0 (±0.0025) mM
4	H2O	natural abundance	93 %
5	D2O	[U-100% 2H]	7 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
10	S1F1	[U-99% 13C; U-99% 15N]	0.5 (±2.0E-5) mM
11	potassium phosphate	natural abundance	25.0 (±0.0025) mM
12	potassium chloride	natural abundance	200.0 (±0.0025) mM
13	H2O	natural abundance	93 %
14	D2O	[U-100% 2H]	7 %

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 950 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
6	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
7	potassium phosphate	natural abundance	25.0 (±0.0025) mM
8	potassium chloride	natural abundance	200.0 (±0.0025) mM
9	D2O	[U-100% 2H]	100 %

10 2D 1H-13C HSQC

Instrument

Bruker Avance - 950 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
6	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
7	potassium phosphate	natural abundance	25.0 (±0.0025) mM
8	potassium chloride	natural abundance	200.0 (±0.0025) mM
9	D2O	[U-100% 2H]	100 %

11 3D CCH-TOCSY

Instrument

Bruker Avance - 950 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
6	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
7	potassium phosphate	natural abundance	25.0 (±0.0025) mM
8	potassium chloride	natural abundance	200.0 (±0.0025) mM
9	D2O	[U-100% 2H]	100 %

12 3D HCCH-TOCSY aromatic

Instrument

Bruker Avance - 950 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
6	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
7	potassium phosphate	natural abundance	25.0 (±0.0025) mM
8	potassium chloride	natural abundance	200.0 (±0.0025) mM
9	D2O	[U-100% 2H]	100 %

13 2D 1H-1H NOESY

Instrument

Bruker Avance - 950 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.500 (±0.10)

#	Name	Isotope labeling	Concentration
6	S1F1	[U-99% 13C; U-99% 15N]	0.2 (±2.0E-5) mM
7	potassium phosphate	natural abundance	25.0 (±0.0025) mM
8	potassium chloride	natural abundance	200.0 (±0.0025) mM
9	D2O	[U-100% 2H]	100 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_19550_2mfi.nef
Input source #2: Coordindates	2mfi.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
GIDPFTESLKEIETRPGSIVRGVVVAIDKDVVLVDAGLKSESAIPAEQFKNAQGELEIQVGDEVDVALDAVEDGFGETLLSREKAKRHEAWITLEK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GIDPFTESLKEIETRPGSIVRGVVVAIDKDVVLVDAGLKSESAIPAEQFKNAQGELEIQVGDEVDVALDAVEDGFGETLLSREKAKRHEAWITLEK
--------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	96	0	0	100.0

Content subtype: combined_19550_2mfi.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list	Warning	1017		99.0 (chain: A, length: 96)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2092 (1)	noe	97.9 (chain: A, length: 96)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 96, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 533
  - ¹³C chemical shifts: 389
  - ¹⁵N chemical shifts: 95
- 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	557	533	95.7
¹³C chemical shifts	424	389	91.7
¹⁵N chemical shifts	102	95	93.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	197	193	98.0
¹³C chemical shifts	192	179	93.2
¹⁵N chemical shifts	93	90	96.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	360	340	94.4
¹³C chemical shifts	232	210	90.5
¹⁵N chemical shifts	9	5	55.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	65	63	96.9
¹³C chemical shifts	65	61	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	23	23	100.0
¹³C chemical shifts	22	22	100.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 96, Sequence coverage: 97.9%
- Total number of restraints: 2087
- Weight of restraints: 1.0 (2087)
- Potential type of restraints: upper-bound-parabolic (2087)
- Range of distance target values: 2.46, 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

Keywords gram-negative bacteria, ribosomal protein, ribosome binding, S1

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BMRB: 19550

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. S1F1, : 1 : 6 : 26 entities Detail

Experiments performed 13 experiments Detail

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NMR combined restraints 3 contents Detail