BMRB Entry 51716

Title:
Partial Backbone Assignment of The Q163C/Q309C Mutant of aMI-domain in the Co2+-Bound Form
Deposition date:
2022-11-30
Original release date:
2023-04-04
Authors:
Nguyen, Hoa; Wang, Xu
Citation:

Citation: Nguyen, Hoa; Jing, Tianwei; Wang, Xu. "The Q163C/Q309C mutant of alphaMI-domain is an active variant suitable for NMR characterization"  PLoS One 18, e0280778-e0280778 (2023).
PubMed: 36696377

Assembly members:

Assembly members:
entity_1, polymer, 194 residues, Formula weight is not available
entity_GLU, non-polymer, 147.129 Da.
entity_CO, non-polymer, 58.933 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-15b

Data sets:
Data typeCount
13C chemical shifts72
15N chemical shifts38
1H chemical shifts38

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Q163C1
2Glu2
3Co3

Entities:

Entity 1, Q163C 194 residues - Formula weight is not available

Contains the mutations Q163C and Q309C to create the disulfide bond needed to

1   GLUASPSERASPILEALAPHELEUILEASP
2   GLYSERGLYSERILEILEPROHISASPPHE
3   ARGARGMETLYSGLUPHEVALSERTHRVAL
4   METGLUCYSLEULYSLYSSERLYSTHRLEU
5   PHESERLEUMETGLNTYRSERGLUGLUPHE
6   ARGILEHISPHETHRPHELYSGLUPHEGLN
7   ASNASNPROASNPROARGSERLEUVALLYS
8   PROILETHRGLNLEULEUGLYARGTHRHIS
9   THRALATHRGLYILEARGLYSVALVALARG
10   GLULEUPHEASNILETHRASNGLYALAARG
11   LYSASNALAPHELYSILELEUVALVALILE
12   THRASPGLYGLULYSPHEGLYASPPROLEU
13   GLYTYRGLUASPVALILEPROGLUALAASP
14   ARGGLUGLYVALILEARGTYRVALILEGLY
15   VALGLYASPALAPHEARGSERGLULYSSER
16   ARGGLNGLULEUASNTHRILEALASERLYS
17   PROPROARGASPHISVALPHEGLNVALASN
18   ASNPHEGLUALALEULYSTHRILECYSASN
19   GLNLEUARGGLULYSILEPHEALAILEGLU
20   GLYTHRGLNTHR

Entity 2, Glu - C5 H9 N O4 - 147.129 Da.

1   GLU

Entity 3, Co - Co - 58.933 Da.

1   CO

Samples:

sample_1: alphaM-I-domain, [U-100% 13C; U-100% 15N; U-80% 2H], 0.25 mM; sodium glutamate 10 mM; Cobalt Chloride 1 mM; HEPES 20 mM; sodium chloride 0.1 M

sample_conditions_1: ionic strength: 0.1 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

NMRViewJ - data analysis

I-PINE - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 850 MHz

Related Database Links:

PDB

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks