BMRB Entry 15737

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PDB ID: 2k33
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15737
MolProbity Validation Chart

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Title:
Solution structure of an N-glycosylated protein using in vitro glycosylation
Deposition date:
2008-04-18
Original release date:
2009-01-23
Authors:
Slynko, Vadim; Schubert, Mario; Numao, Shin; Kowarik, Michael; Aebi, Markus; Allain, Frederic
Citation:

Citation: Slynko, Vadim; Schubert, Mario; Numao, Shin; Kowarik, Michael; Aebi, Markus; Allain, Frederic. "NMR structure determination of a segmentally labeled glycoprotein using in vitro glycosylation"  J. Am. Chem. Soc. 131, 1274-1281 (2009).
PubMed: 19154179

Assembly members:

Assembly members:
AcrA (61-210DD), polymer, 116 residues, 12748.376 Da.
SUGAR_(7-MER), polymer, 7 residues, 1196.129 Da.

Natural source:

Natural source:   Common Name: Campylobacter jejuni   Taxonomy ID: 197   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Campylobacter jejuni

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET24b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AcrA (61-210DD): DVIIKPQVSGVIVNKLFKAG DKVKKGQTLFIIEQDQASKD FNRSKALFSQSAISQKEYDS SLATLDHTEIKAPFDGTIGD ALVNIGDYVSASTTELVRVT NLNPIYADGSHHHHHH
SUGAR_(7-MER): XXXXXXX

Data sets:
Data typeCount
13C chemical shifts387
15N chemical shifts117
1H chemical shifts828

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1AcrA (61-210DD)1
2SUGAR (7-MER)2

Entities:

Entity 1, AcrA (61-210DD) 116 residues - 12748.376 Da.

consists of res. 61-210 of the AcrA protein from Campylobacter jejuni with deletions of res. 97-117 and 146-166, and two point mutations: K96Q and K131Q. Note that the sugar is covalently attached to Asn123 (Asn42 in entry).

1   ASPVALILEILELYSPROGLNVALSERGLY
2   VALILEVALASNLYSLEUPHELYSALAGLY
3   ASPLYSVALLYSLYSGLYGLNTHRLEUPHE
4   ILEILEGLUGLNASPGLNALASERLYSASP
5   PHEASNARGSERLYSALALEUPHESERGLN
6   SERALAILESERGLNLYSGLUTYRASPSER
7   SERLEUALATHRLEUASPHISTHRGLUILE
8   LYSALAPROPHEASPGLYTHRILEGLYASP
9   ALALEUVALASNILEGLYASPTYRVALSER
10   ALASERTHRTHRGLULEUVALARGVALTHR
11   ASNLEUASNPROILETYRALAASPGLYSER
12   HISHISHISHISHISHIS

Entity 2, SUGAR (7-MER) 7 residues - 1196.129 Da.

GalNAc-a1,4-GalNAc-a1,4-[Glc-b1,3]GalNAc-a1,4-GalNAc-a1,4-GalNAc-a1,3-Bac-1,N-Asn Note that the glycan is covalently attached to Asn42, see submitted pdf. Bac stands for bacillosamine and is identical to 2,4-diacetamido-2,4,6-trideoxyglucopyranose. It is part of the glycan chain, is linked to Asn42 and the rest of the glycan.

1   XA2GA2GA2GA2GBGCA2G

Related Database Links:

BMRB 15735
PDB 2K32 2K33

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