BMRB Entry 21033
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21033
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Citation: Zierke, Mirko; Smiesko, Martin; Rabbani, Said; Aeschbacher, Thomas; Cutting, Brian; Allain, Frederic; Schubert, Mario; Ernst, Beat. "Stabilization of Branched Oligosaccharides: Lewis(x) Benefits from a Nonconventional C-H...O Hydrogen Bond" J. Am. Chem. Soc. 135, 13464-13472 (2013).
PubMed: 24001318
Assembly members:
SUGAR_(3-MER), polymer, 4 residues, 543.521 Da.
FimH, polymer, 173 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
SUGAR_(3-MER): XXXX
FimH: FACKTANGTAIPIGGGSANV
YVNLAPVVNVGQNLVVDLST
QIFCHNDYPETITDYVTLQR
GSAYGGVLSNFSGTVKYCGS
SYPFPTTSETPRVVYNSRTD
KPWPVALYLTPVSSAGGVAI
KAGSLIAVLILRQTNNYNSD
DFQFVWNIYANNDVVVPTGL
VPRGSLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 20 |
| 1H chemical shifts | 28 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Lewisx | 1 |
| 2 | Protein FimH | 2 |
Entities:
Entity 1, Lewisx 4 residues - 543.521 Da.
| 1 | SP8a | NAG | GAL | FUC |
Entity 2, Protein FimH 173 residues - Formula weight is not available
| 1 | PHE | ALA | CYS | LYS | THR | ALA | ASN | GLY | THR | ALA | ||||
| 2 | ILE | PRO | ILE | GLY | GLY | GLY | SER | ALA | ASN | VAL | ||||
| 3 | TYR | VAL | ASN | LEU | ALA | PRO | VAL | VAL | ASN | VAL | ||||
| 4 | GLY | GLN | ASN | LEU | VAL | VAL | ASP | LEU | SER | THR | ||||
| 5 | GLN | ILE | PHE | CYS | HIS | ASN | ASP | TYR | PRO | GLU | ||||
| 6 | THR | ILE | THR | ASP | TYR | VAL | THR | LEU | GLN | ARG | ||||
| 7 | GLY | SER | ALA | TYR | GLY | GLY | VAL | LEU | SER | ASN | ||||
| 8 | PHE | SER | GLY | THR | VAL | LYS | TYR | CYS | GLY | SER | ||||
| 9 | SER | TYR | PRO | PHE | PRO | THR | THR | SER | GLU | THR | ||||
| 10 | PRO | ARG | VAL | VAL | TYR | ASN | SER | ARG | THR | ASP | ||||
| 11 | LYS | PRO | TRP | PRO | VAL | ALA | LEU | TYR | LEU | THR | ||||
| 12 | PRO | VAL | SER | SER | ALA | GLY | GLY | VAL | ALA | ILE | ||||
| 13 | LYS | ALA | GLY | SER | LEU | ILE | ALA | VAL | LEU | ILE | ||||
| 14 | LEU | ARG | GLN | THR | ASN | ASN | TYR | ASN | SER | ASP | ||||
| 15 | ASP | PHE | GLN | PHE | VAL | TRP | ASN | ILE | TYR | ALA | ||||
| 16 | ASN | ASN | ASP | VAL | VAL | VAL | PRO | THR | GLY | LEU | ||||
| 17 | VAL | PRO | ARG | GLY | SER | LEU | GLU | HIS | HIS | HIS | ||||
| 18 | HIS | HIS | HIS |
Related Database Links:
| BMRB | 19066 19254 19255 19256 26541 |
| PDB | 1KIU 1KLF 1QUN 1UWF 2VCO 3JWN 3MCY 3RFZ 3ZL1 3ZL2 3ZPD 4ATT 4AUJ 4AUU 4AUY 4AV0 4AV4 4AV5 4AVH 4AVI 4AVJ 4AVK 4BUQ 4CA4 4CSS 4CST 4J3O 4LOV 4X50 4X5P 4X5Q 4X5R |
| DBJ | BAB38702 BAE78313 BAG80117 BAI28639 BAI33780 |
| EMBL | CAA12423 CAA29156 CAH55784 CAM92099 CAP78801 |
| GB | AAA97216 AAB29812 AAC35864 AAC77276 AAD44319 |
| REF | NP_313306 NP_418740 NP_709914 WP_000816510 WP_000816511 |
| SP | P08191 |
| AlphaFold | P08191 |