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Found 1 Document (0.796 seconds)

BMRB: 18362

2L4X

The chemical shifts and T1, T2, and 1H-15N NOE data for apo-IscU(S107A)

Authors

Kim, J., Tonelli, M., Markley, J.L.

Assembly

IscU(S107A)

Entity

1. IscU(S107A) (polymer, Thiol state: all free), 128 monomers, 13832.43 Da Detail

MAYSEKVIDH YENPRNVGSF DNNDENVGSG MVGAPACGDV MKLQIKVNDE GIIEDARFKT YGCGSAIASS SLVTEWVKGK SLDEAQAIKN TDIAEELELP PVKIHCAILA EDAIKAAIAD YKSKREAK

Formula weight

13832.43 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 75.0 %, Completeness: 35.5 %, Completeness (bb): 60.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	35.5 % (505 of 1423)	18.0 % (133 of 737)	50.5 % (279 of 552)	69.4 % (93 of 134)
Backbone	60.8 % (462 of 760)	38.3 % (100 of 261)	72.5 % (272 of 375)	72.6 % (90 of 124)
Sidechain	16.6 % (130 of 782)	6.9 % (33 of 476)	31.8 % (94 of 296)	30.0 % (3 of 10)
Aromatic	2.8 % (2 of 72)	2.8 % (1 of 36)	0.0 % (0 of 35)	100.0 % (1 of 1)
Methyl	19.0 % (27 of 142)	15.5 % (11 of 71)	22.5 % (16 of 71)

1. IscU(S107A)

MAYSEKVIDH YENPRNVGSF DNNDENVGSG MVGAPACGDV MKLQIKVNDE GIIEDARFKT YGCGSAIASS SLVTEWVKGK SLDEAQAIKN TDIAEELELP PVKIHCAILA EDAIKAAIAD YKSKREAK

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8

#	Name	Isotope labeling	Concentration
1	IscU(S107A)	[U-13C; U-15N]	1.5 ~ 2.0 mM
2	TRIS	natural abundance	20 mM
3	DTT	natural abundance	5 mM
4	EDTA	natural abundance	0.5 mM
5	sodium chloride	natural abundance	150 mM
6	DSS	natural abundance	0.7 mM
7	D2O	[U-99% 2H]	7 %
8	sodium azide	natural abundance	0.02 %
9	H2O	[U-99% 2H]	93 %

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: 0.04 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: 0.04 ppm, Outliers: 1 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: -0.02 ppm, Outliers: 2 Detail

Heteronucl. T₁

81 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8 Detail

Heteronucl. T₂

81 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8 Detail

Heteronucl. NOE

80 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8 Detail

Heteronucl. T₁/T₂

81 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8 Detail

Release date

2012-03-28

Citation

Three-dimensional structure and determinants of stability of the iron-sulfur cluster scaffold protein IscU from Escherichia coli
Kim, J., Tonelli, M., Kim, T., Markley, J.L.
Biochemistry (2012), 51, 5557-5563, PubMed 22734684 , DOI 10.1021/bi300579p , Abstract

Entries sharing articles BMRB: 5, Swiss-Prot: 1 entries Detail

  BMRB: 18359 released on 2012-09-13
    Title The chemical shifts and T1, T2, and 1H-15N NOE data for apo-IscU(D39V)
  BMRB: 18361 released on 2012-09-13
    Title The chemical shifts and T1, T2, and 1H-15N NOE data for apo-IscU(N90A)
  BMRB: 16603 released on 2012-08-28
    Title Solution Structure of apo-IscU
  BMRB: 17282 released on 2012-08-28
    Title Solution Structure of apo-IscU(WT)
  BMRB: 18360 released on 2012-03-28
    Title The chemical shifts and T1, T2, and 1H-15N NOE data for apo-IscU(E111A)
  Swiss-Prot: P0ACD4 released on 2005-11-22
    Title ISCU_ECOLI Entity Iron-sulfur cluster assembly scaffold protein IscU

Related entities 1. IscU(S107A), : 1 : 2 : 96 entities Detail

Interaction partners 1. IscU(S107A), : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Heteronucl NOE exptl data, Heteronucl T1 relaxation data, Heteronucl T2 relaxation data	bmr18362_3.str
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

Content subtype: bmr18362_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	445		71.9 (chain: 1, length: 128)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 128, Sequence coverage: 71.9%
- Total number of assignments
  - ¹³C chemical shifts: 263
  - ¹H chemical shifts: 92
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
23	ASN	CG	177.495
86	GLN	CD	179.928

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	256	176	68.8
¹H chemical shifts	261	87	33.3
¹⁵N chemical shifts	124	87	70.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	74	12	16.2
¹H chemical shifts	74	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	552	261	47.3
¹H chemical shifts	737	92	12.5
¹⁵N chemical shifts	137	90	65.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	296	85	28.7
¹H chemical shifts	476	5	1.1
¹⁵N chemical shifts	13	3	23.1

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Found 1 Document (0.796 seconds)

BMRB: 18362

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 5, Swiss-Prot: 1 entries Detail

Related entities 1. IscU(S107A), : 1 : 2 : 96 entities Detail

Interaction partners 1. IscU(S107A), : 2 interactors Detail

Experiments performed 4 experiments Detail

Instrument

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Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail