BMRB Entry 25001

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25001
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli
Deposition date:
2014-06-04
Original release date:
2014-10-27
Authors:
Matthews, Stephen; Yang, Yi; Berry, Andrea; Pakharukova, Nathalia; Garnett, James; Lee, Wei-chao; Cota, Ernesto; Liu, Bing; Roy, S.; Tuittila, Minna; Marchant, Jan; Inman, Keith; Ruiz-Perez, Fernando; Mandomando, Inacio; Nataro, James; Zavialov, Anton
Citation:

Citation: Berry, Andrea; Yang, Yi; Pakharukova, Nathalia; Garnett, James; Lee, Wei-chao; Cota, Ernesto; Liu, Bing; Marchant, Jan; Roy, S.; Tuittila, Minna; Inman, Keith; Ruiz-Perez, Fernando; Mandomando, Inacio; Nataro, James; Zavialov, Anton; Matthews, Stephen. "Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli"  PLoS Pathog. 10, e1004404-e1004404 (2014).
PubMed: 25232738

Assembly members:

Assembly members:
entity, polymer, 145 residues, 15556.729 Da.

Natural source:

Natural source:   Common Name: E. coli   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: pQE-30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: NFCDITITPATNRDVNVDRS ANIDLSFTIRQPQRCADAGM RIKAWGEANHGQLLIKPQGG NKSAGFTLASPRFSYIPNNP ANIMNGFVLTNPGVYQLGMQ GSITPAIPLRPGLYEVVLNA ELVTNDNKQNATAVAKTATS TITVV

Data sets:
Data typeCount
1H chemical shifts923
13C chemical shifts595
15N chemical shifts134

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 145 residues - 15556.729 Da.

1   ASNPHECYSASPILETHRILETHRPROALA
2   THRASNARGASPVALASNVALASPARGSER
3   ALAASNILEASPLEUSERPHETHRILEARG
4   GLNPROGLNARGCYSALAASPALAGLYMET
5   ARGILELYSALATRPGLYGLUALAASNHIS
6   GLYGLNLEULEUILELYSPROGLNGLYGLY
7   ASNLYSSERALAGLYPHETHRLEUALASER
8   PROARGPHESERTYRILEPROASNASNPRO
9   ALAASNILEMETASNGLYPHEVALLEUTHR
10   ASNPROGLYVALTYRGLNLEUGLYMETGLN
11   GLYSERILETHRPROALAILEPROLEUARG
12   PROGLYLEUTYRGLUVALVALLEUASNALA
13   GLULEUVALTHRASNASPASNLYSGLNASN
14   ALATHRALAVALALALYSTHRALATHRSER
15   THRILETHRVALVAL

Samples:

sample_1: sodium acetate 50 mM; entity, [U-100% 13C; U-100% 15N], 200 uM; sodium chloride 50 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: temperature: 298 K; pH: 5; pressure: 1 atm; ionic strength: 50 mM

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

ARIA, Johnson, One Moon Scientific, Linge, O'Donoghue and Nilges - chemical shift assignment, structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker DRX 800 MHz

Related Database Links:

BMRB 16748
PDB
GB AAB82330

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