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 15941

Title: Solution structure of a zinc-binding methionine sulfoxide reductase   PubMed: 21219456

Authors: Carella, Michela; Ohlenschlager, Oliver; Gorlach, Matthias

Citation: Carella, Michela; Becher, Juliane; Ohlenschlager, Oliver; Ramachandran, Ramadurai; Guhrs, Karl-Heinz; Wellenreuther, Gerd; Meyer-Klaucke, Wolfram; Heinemann, Stefan; Gorlach, Matthias. "Structure-function relationship in an archaebacterial methionine sulphoxide reductase B."  Mol. Microbiol. 79, 342-358 (2011).

Assembly members:
msrb, polymer, 154 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Methanothermobacter thermautotrophicus   Taxonomy ID: 145262   Superkingdom: Archaea   Kingdom: not available   Genus/species: Methanothermobacter thermautotrophicus

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

Entity Sequences (FASTA):
msrb: GSHMKDRIPIFSVAKNRVEM VERIELSDDEWREILDPEAF RVARKAGTEPPFTGKYHDLH DDGIYRCICCGTDLFDSETK FDSGTGWPSFYDVVSEHNIK LREDRSLGMVRCEVLCARCD AHLGHVFDDGPRPTGKRYCM NSAALKFIPRDQIG

Data sets:
Data typeCount
13C chemical shifts556
15N chemical shifts134
1H chemical shifts904

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1subunit 11
2subunit 22

Entities:

Entity 1, subunit 1 154 residues - Formula weight is not available

amino acids 1-3 represent non-native residues derived from the vector sequence

1   GLYSERHISMETLYSASPARGILEPROILE
2   PHESERVALALALYSASNARGVALGLUMET
3   VALGLUARGILEGLULEUSERASPASPGLU
4   TRPARGGLUILELEUASPPROGLUALAPHE
5   ARGVALALAARGLYSALAGLYTHRGLUPRO
6   PROPHETHRGLYLYSTYRHISASPLEUHIS
7   ASPASPGLYILETYRARGCYSILECYSCYS
8   GLYTHRASPLEUPHEASPSERGLUTHRLYS
9   PHEASPSERGLYTHRGLYTRPPROSERPHE
10   TYRASPVALVALSERGLUHISASNILELYS
11   LEUARGGLUASPARGSERLEUGLYMETVAL
12   ARGCYSGLUVALLEUCYSALAARGCYSASP
13   ALAHISLEUGLYHISVALPHEASPASPGLY
14   PROARGPROTHRGLYLYSARGTYRCYSMET
15   ASNSERALAALALEULYSPHEILEPROARG
16   ASPGLNILEGLY

Entity 2, subunit 2 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: msrb, [U-15N], 1.2 mM; Na-phosphate 20 mM; NaCl 20 mM; beta-mercaptoethanol 5 mM

sample_2: msrb, [U-13C; U-15N], 1.2 mM; Na-phosphate 20 mM; NaCl 20 mM; beta-mercaptoethanol 5 mM

sample_conditions_1: ionic strength: 40 mM; pH: 7.2; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

VNMR v6.1 rev. C, Varian - collection, processing

XEASY v1.3.9, Bartels et al. - data analysis, peak picking

DYANA v1.5, Guntert, Braun and Wuthrich - structure solution

OPAL v2.6, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

SWS O26807
PDB
DBJ BAM69888
GB AAB85216
REF WP_010876350
SP O26807