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Found 1 Document (1.423 seconds)

BMRB: 17282

2L4X

Solution Structure of apo-IscU(WT)

Authors

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

Assembly

IscU

Entity

1. IscU (polymer, Thiol state: all free), 128 monomers, 13848.43 Da Detail

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

Formula weight

13848.43 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS, simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, RDCs

Chem. Shift Complete

Sequence coverage: 82.0 %, Completeness: 73.3 %, Completeness (bb): 77.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.3 % (1044 of 1424)	73.3 % (541 of 738)	72.6 % (401 of 552)	76.1 % (102 of 134)
Backbone	77.1 % (586 of 760)	77.8 % (203 of 261)	76.5 % (287 of 375)	77.4 % (96 of 124)
Sidechain	70.5 % (552 of 783)	70.9 % (338 of 477)	70.3 % (208 of 296)	60.0 % (6 of 10)
Aromatic	12.5 % (9 of 72)	22.2 % (8 of 36)	0.0 % (0 of 35)	100.0 % (1 of 1)
Methyl	87.1 % (122 of 140)	87.1 % (61 of 70)	87.1 % (61 of 70)

1. IscU

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

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Concentration
1	IscU	[U-15N]	0.7 ~ 0.8 mM
2	TRIS	natural abundance	20 mM
3	DTT	natural abundance	5 mM
4	sodium chloride	natural abundance	150 mM
5	DSS	natural abundance	0.7 mM
6	EDTA	natural abundance	0.5 mM
7	H2O	natural abundance	93 %
8	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Concentration
17	IscU	[U-15N]	0.7 ~ 0.8 mM
18	TRIS	natural abundance	20 mM
19	DTT	natural abundance	5 mM
20	sodium chloride	natural abundance	150 mM
21	DSS	natural abundance	0.7 mM
22	EDTA	natural abundance	0.5 mM
23	Pf1 phage	natural abundance	12 mg/mL
24	H2O	natural abundance	93 %
25	D2O	natural abundance	7 %

LACS Plot; CA

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

Referencing offset: 0.15 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.15 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.04 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: -0.02 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L4X, Strand ID: A Detail

Heteronucl. T₁

79 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8.0 Detail

Heteronucl. T₂

79 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8.0 Detail

Heteronucl. NOE

81 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8.0 Detail

Heteronucl. T₁/T₂

79 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 8.0 Detail

RDC

74 RDC values in 1 lists
Field strength (¹H) 750 MHz, Pressure 1 atm, Temperature 298 K, pH 8.0 Detail

Release date

2012-08-28

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: 18360 released on 2012-03-28
    Title The chemical shifts and T1, T2, and 1H-15N NOE data for apo-IscU(E111A)
  BMRB: 18362 released on 2012-03-28
    Title The chemical shifts and T1, T2, and 1H-15N NOE data for apo-IscU(S107A)
  Swiss-Prot: P0ACD4 released on 2005-11-22
    Title ISCU_ECOLI Entity Iron-sulfur cluster assembly scaffold protein IscU

Related entities 1. IscU, : 1 : 2 : 2 : 94 entities Detail

Interaction partners 1. IscU, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

2 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

3 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Concentration
1	IscU	[U-15N]	0.7 ~ 0.8 mM
2	TRIS	natural abundance	20 mM
3	DTT	natural abundance	5 mM
4	sodium chloride	natural abundance	150 mM
5	DSS	natural abundance	0.7 mM
6	EDTA	natural abundance	0.5 mM
7	H2O	natural abundance	93 %
8	D2O	natural abundance	7 %

4 2D 1H-13C HSQC

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

6 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

7 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

8 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

9 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

10 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

11 3D HCCH-TOCSY

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details For resonance assignment

#	Name	Isotope labeling	Concentration
9	IscU	[U-13C; U-15N]	1.4 mM
10	TRIS	natural abundance	20 mM
11	DTT	natural abundance	5 mM
12	DSS	natural abundance	0.7 mM
13	sodium chloride	natural abundance	150 mM
14	EDTA	natural abundance	0.5 mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

12 2D IPAP 1H-15N HSQC

Instrument

Bruker DMX - 750 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Concentration
17	IscU	[U-15N]	0.7 ~ 0.8 mM
18	TRIS	natural abundance	20 mM
19	DTT	natural abundance	5 mM
20	sodium chloride	natural abundance	150 mM
21	DSS	natural abundance	0.7 mM
22	EDTA	natural abundance	0.5 mM
23	Pf1 phage	natural abundance	12 mg/mL
24	H2O	natural abundance	93 %
25	D2O	natural abundance	7 %

nullKeywords iron-sulfur cluster, iron-sulfur cluster scaffold, IscU

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Found 1 Document (1.423 seconds)

BMRB: 17282

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

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

Related entities 1. IscU, : 1 : 2 : 2 : 94 entities Detail

Interaction partners 1. IscU, : 2 interactors Detail

Experiments performed 12 experiments Detail

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