BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	98.0 % (891 of 909)	97.5 % (466 of 478)	98.3 % (344 of 350)	100.0 % (81 of 81)
Backbone	99.6 % (448 of 450)	98.7 % (153 of 155)	100.0 % (222 of 222)	100.0 % (73 of 73)
Sidechain	97.0 % (513 of 529)	96.9 % (313 of 323)	97.0 % (192 of 198)	100.0 % (8 of 8)
Aromatic	81.3 % (26 of 32)	100.0 % (16 of 16)	62.5 % (10 of 16)
Methyl	100.0 % (98 of 98)	100.0 % (49 of 49)	100.0 % (49 of 49)

1. entity 1

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] Ubiquitin, 90% H2O/10% D2O; 2.5 mg of ubiquitin were dissolved in a 50 mM Na phosphate buffer at pH 6.5. The final ubiquitin concentration varied between 0.75 and 0.9 mM, and 10-20% (v/v) D2O were added for field locking.

#	Name	Isotope labeling	Type	Concentration
1	Ubiquitin	[U-100% 13C; U-100% 15N]		0.9 mM
2	Na phosphate buffer	natural abundance		50 mM

LACS Plot; CA

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.01 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 176 models in PDB: 6V5D, Strand ID: A Detail

Release date

2019-12-22

Citation 1

Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution
Lange, O.F., Lakomek, N.A., Fares, C., Schroeder, G.F., Walter, K.F., Becker, S., Meiler, J., Grubmueller, H., Griesinger, C., de Groot, B.L.
Science (2008), 320, 1471-1475, PubMed 18556554 , DOI 10.1126/science.1157092 , Abstract

Show more 1 citaion

Citation 2

Enhancing NMR derived ensembles with kinetics on multiple timescales
Smith, C.A., Mazur, A., Rout, A.K., Becker, S., Lee, D., de Groot, B.L., Griesinger, C.
J. Biomol. NMR (2019), 74, 27-43, PubMed 31838619 , DOI 10.1007/s10858-019-00288-8 , Abstract

Hide non-primary 1 citaion

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	bmr30693_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: bmr30693_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	997		100.0 (chain: 1, length: 76)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 76, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 570
  - ¹³C chemical shifts: 344
  - ¹⁵N chemical shifts: 83
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- 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)
19	PRO	N	133.78
37	PRO	N	141.24
38	PRO	N	134.93

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	478	470	98.3
¹³C chemical shifts	350	344	98.3
¹⁵N chemical shifts	85	80	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	155	154	99.4
¹³C chemical shifts	152	152	100.0
¹⁵N chemical shifts	73	72	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	323	316	97.8
¹³C chemical shifts	198	192	97.0
¹⁵N chemical shifts	12	8	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	50	100.0
¹³C chemical shifts	50	50	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	16	100.0
¹³C chemical shifts	16	10	62.5

Keywords RDC, SIGNALING PROTEIN, UBL conjugation, cytoplasm, nucleus, residual dipolar coupling, signalling protein, ubiquitin

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (3.873 seconds)

BMRB: 30693

Sample

Chemical shift reference

Chemical shift reference

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