BMRB Entry 53185
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53185
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Jaroentomeechai, Thapakorn; Veloz, Billy; Oliveira Soares, Catia; Goerdeler, Felix; Grosso, Ana Sofia; Bull, Christian; Miller, Rebecca; Furukawa, Sanae; Gines-Alcober, Irene; Taleb, Victor; Merino, Pedro; Ghirardello, Mattia; Companon, Ismael; Coelho, Helena; Dias, Jorge; Vincentelli, Renaud; Henrissat, Bernard; Joshi, Hiren; Clausen, Henrik; Corzana, Francisco; Marcelo, Filipa; Hurtado-Guerrero, Ramon; Narimatsu, Yoshiki. "Microbial binding module employs sophisticated clustered saccharide patches to selectively adhere to mucins" Nat. Commun. 16, 9058-9058 (2025).
PubMed: 41083434
Assembly members:
entity_1, polymer, 104 residues, Formula weight is not available
entity_2, polymer, 13 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMALC2x
Entity Sequences (FASTA):
entity_1: GGGGALPAKENEGCIVSVNS
GKRYCLPVGQRSGYSLPDWI
VGQEVYVDSGAKAKVLLSDW
DNLSYNRIGEFVGNVNPADM
KKVKAWNGQYLDFSKPRSMR
VVYK
entity_2: AEAPXXXXXSAPK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 267 |
| 15N chemical shifts | 101 |
| 1H chemical shifts | 101 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | X409 | 1 |
| 2 | Tn-MUC5Ac | 2 |
Entities:
Entity 1, X409 104 residues - Formula weight is not available
| 1 | GLY | GLY | GLY | GLY | ALA | LEU | PRO | ALA | LYS | GLU | ||||
| 2 | ASN | GLU | GLY | CYS | ILE | VAL | SER | VAL | ASN | SER | ||||
| 3 | GLY | LYS | ARG | TYR | CYS | LEU | PRO | VAL | GLY | GLN | ||||
| 4 | ARG | SER | GLY | TYR | SER | LEU | PRO | ASP | TRP | ILE | ||||
| 5 | VAL | GLY | GLN | GLU | VAL | TYR | VAL | ASP | SER | GLY | ||||
| 6 | ALA | LYS | ALA | LYS | VAL | LEU | LEU | SER | ASP | TRP | ||||
| 7 | ASP | ASN | LEU | SER | TYR | ASN | ARG | ILE | GLY | GLU | ||||
| 8 | PHE | VAL | GLY | ASN | VAL | ASN | PRO | ALA | ASP | MET | ||||
| 9 | LYS | LYS | VAL | LYS | ALA | TRP | ASN | GLY | GLN | TYR | ||||
| 10 | LEU | ASP | PHE | SER | LYS | PRO | ARG | SER | MET | ARG | ||||
| 11 | VAL | VAL | TYR | LYS |
Entity 2, Tn-MUC5Ac 13 residues - Formula weight is not available
| 1 | ALA | GLU | ALA | PRO | X | X | X | X | X | SER | ||||
| 2 | ALA | PRO | LYS |
Samples:
sample_1: X409, [U-99% 13C; U-99% 15N], 215 uM; D2O 10%; sodium phosphate 10 mM; sodium chloride 105 mM; sodium azide 0.01%; TSP 0.05 mM; Tn-MUC5Ac 645 uM
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.5 - collection, processing
CARA v1.9.1.7 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks