BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 50176

Title: Rab1b bound to GTP (Phosphocholination at S76)   PubMed: 32123090

Deposition date: 2020-01-28 Original release date: 2020-05-30

Authors: Kang, Hyun-Seo; Barthelmes, Katja; Sattler, Michael

Citation: Barthelmes, Katja; Ramcke, Evelyn; Kang, Hyun-Seo; Sattler, Michael; Itzen, Aymelt. "Conformational Control of Small GTPases by AMPylation"  Proc. Natl. Acad. Sci. U.S.A. 117, 5772-5781 (2020).

Assembly members:
entity_1_Rab1b, polymer, 173 residues, Formula weight is not available
entity_GTP, non-polymer, 523.180 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):
entity_1_Rab1b: MPEYDYLFKLLLIGDSGVGK SCLLLRFADDTYTESYISTI GVDFKIRTIELDGKTIKLQI WDTAGAERFRTITSSYYRGA HGIIVVYDVTDQESYANVKQ WLQEIDRYASENVNKLLVGN KSDLTTKKVVDNTTAKEFAD SLGIPFLETSAKNATNVEQA FMTMAAEIKKRMG

Data sets:
Data typeCount
13C chemical shifts378
15N chemical shifts145
1H chemical shifts159

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Rab1b1
2GTP2

Entities:

Entity 1, Rab1b 173 residues - Formula weight is not available

Phosphocholination at S76

1   METPROGLUTYRASPTYRLEUPHELYSLEU
2   LEULEUILEGLYASPSERGLYVALGLYLYS
3   SERCYSLEULEULEUARGPHEALAASPASP
4   THRTYRTHRGLUSERTYRILESERTHRILE
5   GLYVALASPPHELYSILEARGTHRILEGLU
6   LEUASPGLYLYSTHRILELYSLEUGLNILE
7   TRPASPTHRALAGLYALAGLUARGPHEARG
8   THRILETHRSERSERTYRTYRARGGLYALA
9   HISGLYILEILEVALVALTYRASPVALTHR
10   ASPGLNGLUSERTYRALAASNVALLYSGLN
11   TRPLEUGLNGLUILEASPARGTYRALASER
12   GLUASNVALASNLYSLEULEUVALGLYASN
13   LYSSERASPLEUTHRTHRLYSLYSVALVAL
14   ASPASNTHRTHRALALYSGLUPHEALAASP
15   SERLEUGLYILEPROPHELEUGLUTHRSER
16   ALALYSASNALATHRASNVALGLUGLNALA
17   PHEMETTHRMETALAALAGLUILELYSLYS
18   ARGMETGLY

Entity 2, GTP - C10 H16 N5 O14 P3 - 523.180 Da.

1   GTP

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 0.3 mM; HEPES 20 mM; DTE 2 mM; sodium chloride 50 mM; MgCl2 1 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CcpNMR, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

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