BMRB Entry 16423
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16423
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Citation: Sich, Christian; Improta, Sabina; Cowley, David; Guenet, Chantal; Merly, Jean-Pierre; Teufel, Michael; Saudek, Vladimir. "Solution structure of a neurotrophic ligand bound to FKBP12 and its effects on protein dynamics" Eur. J. Biochem. 267, 5342-5354 (2000).
PubMed: 10951192
Assembly members:
FKBP12, polymer, 104 residues, 12286.19 Da.
1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE, non-polymer, 449.582 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: na
Entity Sequences (FASTA):
FKBP12: GVQVQTISPGDGRTFPKRGQ
TCVVHYTGMLEDGKKFDSSR
DRNKPFKFMLGLQEVIRGWE
GVAQMSVGQRAKLTISPDYA
YGATGHPGIIPHTLVFDVEL
LKLE
- binding_constants
| Data type | Count |
| binding constants | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | FKBP12 | 1 |
| 2 | ligand 1 | 2 |
Entities:
Entity 1, FKBP12 104 residues - 12286.19 Da.
| 1 | GLY | VAL | GLN | VAL | GLN | THR | ILE | SER | PRO | GLY | ||||
| 2 | ASP | GLY | ARG | THR | PHE | PRO | LYS | ARG | GLY | GLN | ||||
| 3 | THR | CYS | VAL | VAL | HIS | TYR | THR | GLY | MET | LEU | ||||
| 4 | GLU | ASP | GLY | LYS | LYS | PHE | ASP | SER | SER | ARG | ||||
| 5 | ASP | ARG | ASN | LYS | PRO | PHE | LYS | PHE | MET | LEU | ||||
| 6 | GLY | LEU | GLN | GLU | VAL | ILE | ARG | GLY | TRP | GLU | ||||
| 7 | GLY | VAL | ALA | GLN | MET | SER | VAL | GLY | GLN | ARG | ||||
| 8 | ALA | LYS | LEU | THR | ILE | SER | PRO | ASP | TYR | ALA | ||||
| 9 | TYR | GLY | ALA | THR | GLY | HIS | PRO | GLY | ILE | ILE | ||||
| 10 | PRO | HIS | THR | LEU | VAL | PHE | ASP | VAL | GLU | LEU | ||||
| 11 | LEU | LYS | LEU | GLU |
Entity 2, ligand 1 - C28 H35 N O4 - 449.582 Da.
| 1 | SB3 |