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Biological Magnetic Resonance Data Bank


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BMRB Entry 17680

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17680
MolProbity Validation Chart

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Title: Solution structure of Helix-RING domain in the Tyr363 phosphorylated form.   PubMed: 22158902

Deposition date: 2011-06-01 Original release date: 2012-02-22

Authors: Kumeta, Hiroyuki; Kobashigawa, Yoshihiro; Inagaki, Fuyuhiko

Citation: Kobashigawa, Yoshihiro; Tomitaka, Akira; Kumeta, Hiroyuki; Noda, Nobuo; Yamaguchi, Masaya; Inagaki, Fuyuhiko. "Autoinhibition and phosphorylation-induced activation mechanisms of human cancer and autoimmune disease-related E3 protein Cbl-b."  Proc. Natl. Acad. Sci. U.S.A. 108, 20579-20584 (2011).

Assembly members:
CBLB-pY-H-RING, polymer, 82 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
CBLB-pY-H-RING: GPHMGSDHIKVTQEQYELXC EMGSTFQLCKICAENDKDVK IEPCGHLMCTSCLTAWQESD GQGCPFCRCEIKGTEPIIVD PF

Data sets:
Data typeCount
13C chemical shifts351
15N chemical shifts84
1H chemical shifts555

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1CBLB-pY-H-RING1
2Zinc_12
3Zinc_22

Entities:

Entity 1, CBLB-pY-H-RING 82 residues - Formula weight is not available

1   GLYPROHISMETGLYSERASPHISILELYS
2   VALTHRGLNGLUGLNTYRGLULEUPTRCYS
3   GLUMETGLYSERTHRPHEGLNLEUCYSLYS
4   ILECYSALAGLUASNASPLYSASPVALLYS
5   ILEGLUPROCYSGLYHISLEUMETCYSTHR
6   SERCYSLEUTHRALATRPGLNGLUSERASP
7   GLYGLNGLYCYSPROPHECYSARGCYSGLU
8   ILELYSGLYTHRGLUPROILEILEVALASP
9   PROPHE

Entity 2, Zinc_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: CBLB-pY-H-RING, [U-99% 13C; U-99% 15N], 0.4 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 150 mM; pH: 6.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)HAsample_1isotropicsample_conditions_1
2D HbCbCgCdHdsample_1isotropicsample_conditions_1
2D HbCbCgCdCeHesample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSY aromaticsample_1isotropicsample_conditions_1

Software:

VNMR v6.1C, Varian - collection

NMRPipe v5.2, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.111, Goddard - chemical shift assignment, refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution

RNMRTK v3, Hock - processing

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
EMBL CAF97501
GB AAB09292 AAB09293 AAH70806 EAW79751 EAW79752
REF NP_001084790 XP_004593274 XP_005465932 XP_005466101 XP_005466102
SP Q6NRE7

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts