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BMRB: 11505

2RSU

Alternative structure of Ubiquitin

Authors

Kitazawa, S., Kameda, T., Yagi-Utsumi, M., Kato, K., Kitahara, R.

Assembly

Alternative structure of Ubiquitin

Entity

1. Alternative structure of Ubiquitin (polymer), 76 monomers, 8550.705 Da Detail

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ NRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Formula weight

8550.705 Da

Source organism

Exptl. method

Refine. method

torsion angle dynamics, Energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.6 %, Completeness (bb): 99.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.6 % (893 of 906)	98.5 % (469 of 476)	98.9 % (345 of 349)	97.5 % (79 of 81)
Backbone	99.1 % (446 of 450)	99.4 % (154 of 155)	99.5 % (221 of 222)	97.3 % (71 of 73)
Sidechain	98.3 % (517 of 526)	98.1 % (315 of 321)	98.5 % (194 of 197)	100.0 % (8 of 8)
Aromatic	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)
Methyl	100.0 % (98 of 98)	100.0 % (49 of 49)	100.0 % (49 of 49)

1. entity

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ NRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	protein	[U-99% 13C; U-99% 15N]	protein	2.0 mM
2	TRIS	[U-99% 2H]		20 mM
3	DSS	natural abundance		1 mM
4	H2O		solvent	93 %
5	D2O		solvent	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.2 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2013-03-24

Citation

Solution structure of the Q41N variant of ubiquitin as a model for the alternatively folded N2 state of ubiquitin
Kitazawa, S., Kameda, T., Yagi-Utsumi, M., Sugase, K., Baxter, N., Kato, K., Williamson, M., Kitahara, R.
Biochemistry (2013), 52, 1874-1885, PubMed 23421577 , DOI 10.1021/bi301420m , Abstract

Related entities 1. Alternative structure of Ubiquitin, : 1 : 2 : 380 : 340 entities Detail

Interaction partners 1. Alternative structure of Ubiquitin, : 27 interactors Detail

More details for 27 interactors identified by 16 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

2 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

3 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

4 3D C(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

5 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

6 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

7 3D HBHA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

8 3D HN(CO)CA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

9 3D H(CCO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

10 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

11 3D HNHA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

12 3D 1H-15N NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

13 3D 1H-15N TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

14 3D 1H-13C NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

15 3D 1H-13C NOESY aromatic

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-15N]	protein	0.5 mM
7	TRIS	[U-99% 2H]		20 mM
8	DSS	natural abundance		1 mM
9	sodium chloride	natural abundance		250 mM
10	Pf1 bacteriopharge	natural abundance		6 (±1.0) mg/mL
11	H2O		solvent	93 %
12	D2O		solvent	7 %

16 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	protein	[U-99% 13C; U-99% 15N]	protein	2.0 mM
2	TRIS	[U-99% 2H]		20 mM
3	DSS	natural abundance		1 mM
4	H2O		solvent	93 %
5	D2O		solvent	7 %

nullKeywords high energy, N2, Q41N, ubiquitin