BMRB Entry 27048

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27048

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Title:
DERA K58EY96W monomer mutant
Deposition date:
2017-03-17
Original release date:
2017-06-30
Authors:
Schulte, Marianne; Panwalkar, Vineet
Citation:

Citation: Schulte, Marianne; Stoldt, Matthias; Neudecker, Philipp; Pietruszka, Joerg; Willbold, Dieter; Panwalkar, Vineet. "1H, 13C, and 15N backbone and sidechain resonance assignments of a monomeric variant of E. coli deoxyribose-5-phosphate aldolase"  Biomol. NMR Assignments 11, 197-201 (2017).
PubMed: 28560616

Assembly members:

Assembly members:
Molecule_1, polymer, 259 residues, 27908.8451 Da.

Natural source:

Natural source:   Common Name: enterobacteria   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET 1515b-Kombi-P

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Molecule_1: MTDLKASSLRALKLMDLTTL NDDDTDEKVIALCHQAKTPV GNTAAICIYPRFIPIARETL KEQGTPEIRIATVTNFPHGN DDIDIALAETRAAIAWGADE VDVVFPYRALMAGNEQVGFD LVKACKEACAAANVLLKVII ETGELKDEALIRKASEISIK AGADFIKTSTGKVAVNATPE SARIMMEVIRDMGVEKTVGF KPAGGVRTAEDAQKYLAIAD ELFGADWADARHYRFGASSL LASLLKALGHGDGKSASSY

Data sets:
Data typeCount
13C chemical shifts1077
15N chemical shifts259
1H chemical shifts1649

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Molecule 11

Entities:

Entity 1, Molecule 1 259 residues - 27908.8451 Da.

1   METTHRASPLEULYSALASERSERLEUARG
2   ALALEULYSLEUMETASPLEUTHRTHRLEU
3   ASNASPASPASPTHRASPGLULYSVALILE
4   ALALEUCYSHISGLNALALYSTHRPROVAL
5   GLYASNTHRALAALAILECYSILETYRPRO
6   ARGPHEILEPROILEALAARGGLUTHRLEU
7   LYSGLUGLNGLYTHRPROGLUILEARGILE
8   ALATHRVALTHRASNPHEPROHISGLYASN
9   ASPASPILEASPILEALALEUALAGLUTHR
10   ARGALAALAILEALATRPGLYALAASPGLU
11   VALASPVALVALPHEPROTYRARGALALEU
12   METALAGLYASNGLUGLNVALGLYPHEASP
13   LEUVALLYSALACYSLYSGLUALACYSALA
14   ALAALAASNVALLEULEULYSVALILEILE
15   GLUTHRGLYGLULEULYSASPGLUALALEU
16   ILEARGLYSALASERGLUILESERILELYS
17   ALAGLYALAASPPHEILELYSTHRSERTHR
18   GLYLYSVALALAVALASNALATHRPROGLU
19   SERALAARGILEMETMETGLUVALILEARG
20   ASPMETGLYVALGLULYSTHRVALGLYPHE
21   LYSPROALAGLYGLYVALARGTHRALAGLU
22   ASPALAGLNLYSTYRLEUALAILEALAASP
23   GLULEUPHEGLYALAASPTRPALAASPALA
24   ARGHISTYRARGPHEGLYALASERSERLEU
25   LEUALASERLEULEULYSALALEUGLYHIS
26   GLYASPGLYLYSSERALASERSERTYR

Samples:

DERAmonomer: Molecule 1, [U-13C; U-15N], 0.8 mM; HEPES 50.0 mM; TSP, [U-99% 2H], 1.0 mM; H2O 90%; D2O 10%

DERAmonomer_1: pH: 6.800; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCDERAmonomerisotropicDERAmonomer_1
2D 1H-13C HSQC/HMQCDERAmonomerisotropicDERAmonomer_1
3D HNCODERAmonomerisotropicDERAmonomer_1
2D 1H-13C HSQC/HMQCDERAmonomerisotropicDERAmonomer_1

Software:

CcpNmr_Analysis v2.4, CCPN - Chemical shift assignment

NMR spectrometers:

  • Varian VNMRS 800 MHz
  • Bruker Avance 700 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