BMRB: 7111

Chemical shift assignment of multicrystalline ubiquitin using solid state MAS NMR spectroscopy

Authors

Schubert, M., Manolikas, T., Rogowski, M., Meier, B.H.

Assembly

ubiquitin (microcrystal)

Entity

1. ubiquitin (microcrystal) (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

NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.2 %, Completeness: 80.5 %, Completeness (bb): 86.8 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	13C	15N
All	80.5 % (347 of 431)	80.9 % (283 of 350)	79.0 % (64 of 81)
Backbone	86.8 % (256 of 295)	87.4 % (194 of 222)	84.9 % (62 of 73)
Sidechain	74.3 % (153 of 206)	76.3 % (151 of 198)	25.0 % (2 of 8)
Aromatic	56.3 % (9 of 16)	56.3 % (9 of 16)
Methyl	85.7 % (42 of 49)	85.7 % (42 of 49)

1. ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Show sample condition

Sample

Temperature 268 (±5) K, pH 4 (±1), Details 13C/15N uniformly labelled microcrystalline ubiquitine

#	Name	Isotope labeling	Type	Concentration
1	ubiquitin	[U-13C; U-15N]

Hide sample codition

LACS Plot; CA

Referencing offset: -0.03 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	adamantane	methylene carbons	40.48 ppm	external	direct	1.0
15N	DSS	methyl carbons	0.0 ppm	external	indirect	0.4029799

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.03 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	adamantane	methylene carbons	40.48 ppm	external	direct	1.0
15N	DSS	methyl carbons	0.0 ppm	external	indirect	0.4029799

Hide chemical shift referencing parameters

LACS Plot; CO

Referencing offset: 0.05 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	adamantane	methylene carbons	40.48 ppm	external	direct	1.0
15N	DSS	methyl carbons	0.0 ppm	external	indirect	0.4029799

Hide chemical shift referencing parameters

Protein Blocks Logo

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

---

Release date

2006-08-14

Citation

Solid-state NMR spectroscopy of 10% 13C labeled ubiquitin: spectral simplification and stereospecific assignment of isopropyl groups
Schubert, M., Manolikas, T., Rogowski, M., Meier, B.H.
J. Biomol. NMR (2006), 35, 167-173, PubMed 16858625 , DOI 10.1007/s10858-006-9025-x , Abstract

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

Interaction partners 1. ubiquitin (microcrystal), : 27 interactors Detail

Experiments performed 4 experiments Detail