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Found 1 Document (3.754 seconds)

BMRB: 16603

2KQK

Solution Structure of apo-IscU

Authors

Kim, J., Fuzery, A.K., Tonelli, M., Vickery, L.E., Markley, J.L.

Assembly

IscU

Entity

1. IscU (polymer, Thiol state: all free), 128 monomers, 13804.42 Da Detail

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

Formula weight

13804.42 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 84.5 %, Completeness (bb): 87.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.5 % (1203 of 1423)	84.9 % (626 of 737)	84.1 % (464 of 552)	84.3 % (113 of 134)
Backbone	87.9 % (668 of 760)	88.5 % (231 of 261)	88.0 % (330 of 375)	86.3 % (107 of 124)
Sidechain	82.0 % (641 of 782)	83.0 % (395 of 476)	81.1 % (240 of 296)	60.0 % (6 of 10)
Aromatic	22.2 % (16 of 72)	27.8 % (10 of 36)	14.3 % (5 of 35)	100.0 % (1 of 1)
Methyl	93.0 % (132 of 142)	93.0 % (66 of 71)	93.0 % (66 of 71)

1. IscU

MAYSEKVIDH YENPRNVGSF DNNDENVGSG MVGAPACGAV 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, Details 0.8mM IscU(D39A)

#	Name	Isotope labeling	Concentration
1	IscU	[U-15N]	0.8 mM
2	TRIS	natural abundance	20 mM
3	DSS	natural abundance	0.7 mM
4	DTT	natural abundance	5 mM
5	sodium chloride	natural abundance	150 mM
6	EDTA	natural abundance	0.5 mM
7	sodium azide	natural abundance	0.02 %
8	H2O	natural abundance	93 %
9	D2O	natural abundance	7 %

Sample #2

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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details solution with 13mg/mL Pf1 phage

#	Name	Isotope labeling	Concentration
19	IscU	[U-13C; U-15N]	1.3 mM
20	TRIS	natural abundance	20 mM
21	DSS	natural abundance	0.7 mM
22	DTT	natural abundance	5 mM
23	EDTA	natural abundance	0.5 mM
24	sodium chloride	natural abundance	150 mM
25	sodium azide	natural abundance	0.02 %
26	Pf1 phage	natural abundance	3.9 mg
27	H2O	natural abundance	93 %
28	D2O	natural abundance	7 %

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: 0.02 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: 0.02 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

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: 0.07 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

RDC

62 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: 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)
  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 : 4 : 94 entities Detail

Interaction partners 1. IscU, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 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, Details 0.8mM IscU(D39A)

#	Name	Isotope labeling	Concentration
1	IscU	[U-15N]	0.8 mM
2	TRIS	natural abundance	20 mM
3	DSS	natural abundance	0.7 mM
4	DTT	natural abundance	5 mM
5	sodium chloride	natural abundance	150 mM
6	EDTA	natural abundance	0.5 mM
7	sodium azide	natural abundance	0.02 %
8	H2O	natural abundance	93 %
9	D2O	natural abundance	7 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details 0.8mM IscU(D39A)

#	Name	Isotope labeling	Concentration
1	IscU	[U-15N]	0.8 mM
2	TRIS	natural abundance	20 mM
3	DSS	natural abundance	0.7 mM
4	DTT	natural abundance	5 mM
5	sodium chloride	natural abundance	150 mM
6	EDTA	natural abundance	0.5 mM
7	sodium azide	natural abundance	0.02 %
8	H2O	natural abundance	93 %
9	D2O	natural abundance	7 %

3 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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

4 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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

5 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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

6 3D HNCA

Instrument

Varian INOVA - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

7 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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

8 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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

9 3D HCCH-TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

10 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

#	Name	Isotope labeling	Concentration
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

11 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 0.8mM IscU(D39A)

#	Name	Isotope labeling	Concentration
1	IscU	[U-15N]	0.8 mM
2	TRIS	natural abundance	20 mM
3	DSS	natural abundance	0.7 mM
4	DTT	natural abundance	5 mM
5	sodium chloride	natural abundance	150 mM
6	EDTA	natural abundance	0.5 mM
7	sodium azide	natural abundance	0.02 %
8	H2O	natural abundance	93 %
9	D2O	natural abundance	7 %

12 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 0.8mM IscU(D39A)

#	Name	Isotope labeling	Concentration
1	IscU	[U-15N]	0.8 mM
2	TRIS	natural abundance	20 mM
3	DSS	natural abundance	0.7 mM
4	DTT	natural abundance	5 mM
5	sodium chloride	natural abundance	150 mM
6	EDTA	natural abundance	0.5 mM
7	sodium azide	natural abundance	0.02 %
8	H2O	natural abundance	93 %
9	D2O	natural abundance	7 %

13 3D HN(CO)CA

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
10	IscU	[U-13C; U-15N]	2.0 mM
11	TRIS	natural abundance	20 mM
12	DSS	natural abundance	0.7 mM
13	DTT	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	EDTA	natural abundance	0.5 mM
16	sodium azide	natural abundance	0.02 %
17	H2O	natural abundance	93 %
18	D2O	natural abundance	7 %

14 2D 1H-15N IPAP-HSQC

Instrument

Bruker DMX - 750 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details solution with 13mg/mL Pf1 phage

#	Name	Isotope labeling	Concentration
19	IscU	[U-13C; U-15N]	1.3 mM
20	TRIS	natural abundance	20 mM
21	DSS	natural abundance	0.7 mM
22	DTT	natural abundance	5 mM
23	EDTA	natural abundance	0.5 mM
24	sodium chloride	natural abundance	150 mM
25	sodium azide	natural abundance	0.02 %
26	Pf1 phage	natural abundance	3.9 mg
27	H2O	natural abundance	93 %
28	D2O	natural abundance	7 %

nullKeywords iron-sulfur cluster, isc system, IscU, scaffold protein

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Found 1 Document (3.754 seconds)

BMRB: 16603

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 : 4 : 94 entities Detail

Interaction partners 1. IscU, : 2 interactors Detail

Experiments performed 14 experiments Detail

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