BMRBj - BMREntryMaster

Found 1 Document (2.277 seconds)

BMRB: 17439

2L3Z

1H, 13C and 15N backbone chemical shift assignments of ubiquitin at pH 7.2

Authors

Lorenz, S.G., Wemmer, D.E., Kuriyan, J., Pelton, J.G.

Assembly

ubiquitin

Entity

1. ubiquitin (polymer, Thiol state: not present), 76 monomers, 8564.731 Da Detail

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Formula weight

8564.731 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 34.4 %, Completeness (bb): 62.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	34.4 % (313 of 909)	19.9 % (95 of 478)	42.3 % (148 of 350)	86.4 % (70 of 81)
Backbone	62.9 % (283 of 450)	47.7 % (74 of 155)	62.6 % (139 of 222)	95.9 % (70 of 73)
Sidechain	18.0 % (95 of 529)	6.5 % (21 of 323)	37.4 % (74 of 198)	0.0 % (0 of 8)
Aromatic	0.0 % (0 of 32)	0.0 % (0 of 16)	0.0 % (0 of 16)
Methyl	10.2 % (10 of 98)	8.2 % (4 of 49)	12.2 % (6 of 49)

1. ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	ubiquitin	[U-99% 13C; U-99% 15N]	1640 uM
2	sodium phosphate	natural abundance	75mM mM
3	D2O	natural abundance	7.5 %
4	DSS	natural abundance	30 uM
5	H2O	natural abundance	92.5 %

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: -0.07 ppm, Outliers: 4 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: -0.07 ppm, Outliers: 4 Detail

Release date

2011-03-08

Citation

The mechanism of linkage-specific ubiquitin chain elongation by a single-subunit E2
Wickliffe, K.E., Lorenz, S., Wemmer, D.E., Kuriyan, J., Rape, M.
Cell (2011), 144, 769-781, PubMed 21376237 , DOI 10.1016/j.cell.2011.01.035 , Abstract

Related entities 1. ubiquitin, : 1 : 292 : 11 : 72 : 321 entities Detail

Interaction partners 1. ubiquitin, : 27 interactors Detail

More details for 27 interactors identified by 16 citations

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17439_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: bmr17439_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	275		98.7 (chain: 1, length: 76)
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: 76, Sequence coverage: 98.7%
- Total number of assignments
  - ¹³C chemical shifts: 135
  - ¹H chemical shifts: 70
  - ¹⁵N chemical shifts: 70
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	350	135	38.6
¹H chemical shifts	478	70	14.6
¹⁵N chemical shifts	85	70	82.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	152	70	46.1
¹H chemical shifts	155	70	45.2
¹⁵N chemical shifts	73	70	95.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	198	65	32.8
¹H chemical shifts	323	0	0.0
¹⁵N chemical shifts	12	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	50	2	4.0
¹H chemical shifts	50	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	16	0	0.0
¹H chemical shifts	16	0	0.0

Keywords E2, K11-linked chain, substrate-assisted catalysis, ubiquitin, ubiquitination

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Found 1 Document (2.277 seconds)

BMRB: 17439

Sample

Chemical shift reference

Chemical shift reference

Related entities 1. ubiquitin, : 1 : 292 : 11 : 72 : 321 entities Detail

Interaction partners 1. ubiquitin, : 27 interactors Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail