BMRB Entry 19843
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PDB ID: 2mm3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19843
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
Citation: Horvath, Gergo; Egyed, Orsolya; Bencsura, Akos; Simon, Agnes; Tochtrop, Gregory; DeKoster, Gergory; Covey, Douglas; Cistola, David; Toke, Orsolya. "Solution NMR structure of the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate" Biochem. Biophys. Res. Commun. ., .-..
Assembly members:
entity_1, polymer, 127 residues, 14258.153 Da.
entity_GCH, non-polymer, 465.623 Da.
entity_CHO, non-polymer, 449.623 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMON5840
Entity Sequences (FASTA):
entity_1: AFTGKFEMESEKNYDEFMKL
LGISSDVIEKARNFKIVTEV
QQDGQDFTWSQHYSGGHTMT
NKFTVGKESNIQTMGGKTFK
ATVQMEGGKLVVNFPNYHQT
SEIVGDKLVEVSTIGGVTYE
RVSKRLA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 541 |
| 15N chemical shifts | 139 |
| 1H chemical shifts | 884 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | GLYCOCHOLIC ACID | 2 |
| 3 | GLYCOCHENODEOXYCHOLIC ACID | 3 |
Entities:
Entity 1, entity_1 127 residues - 14258.153 Da.
| 1 | ALA | PHE | THR | GLY | LYS | PHE | GLU | MET | GLU | SER | ||||
| 2 | GLU | LYS | ASN | TYR | ASP | GLU | PHE | MET | LYS | LEU | ||||
| 3 | LEU | GLY | ILE | SER | SER | ASP | VAL | ILE | GLU | LYS | ||||
| 4 | ALA | ARG | ASN | PHE | LYS | ILE | VAL | THR | GLU | VAL | ||||
| 5 | GLN | GLN | ASP | GLY | GLN | ASP | PHE | THR | TRP | SER | ||||
| 6 | GLN | HIS | TYR | SER | GLY | GLY | HIS | THR | MET | THR | ||||
| 7 | ASN | LYS | PHE | THR | VAL | GLY | LYS | GLU | SER | ASN | ||||
| 8 | ILE | GLN | THR | MET | GLY | GLY | LYS | THR | PHE | LYS | ||||
| 9 | ALA | THR | VAL | GLN | MET | GLU | GLY | GLY | LYS | LEU | ||||
| 10 | VAL | VAL | ASN | PHE | PRO | ASN | TYR | HIS | GLN | THR | ||||
| 11 | SER | GLU | ILE | VAL | GLY | ASP | LYS | LEU | VAL | GLU | ||||
| 12 | VAL | SER | THR | ILE | GLY | GLY | VAL | THR | TYR | GLU | ||||
| 13 | ARG | VAL | SER | LYS | ARG | LEU | ALA |
Entity 2, GLYCOCHOLIC ACID - C26 H43 N O6 - 465.623 Da.
| 1 | GCH |
Entity 3, GLYCOCHENODEOXYCHOLIC ACID - C26 H43 N O5 - 449.623 Da.
| 1 | CHO |
Related Database Links:
| BMRB | 17220 |
| PDB | 1O1U 1O1V 2MM3 |
| DBJ | BAI46829 |
| EMBL | CAA62415 |
| GB | AAB82751 AAH22489 ABA12611 ADQ32819 AIC54371 |
| REF | NP_001035532 NP_001124430 NP_001436 XP_001083748 XP_001083965 |
| SP | P51161 |
| AlphaFold | P51161 |
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